Phenylpropanoids and polyketides
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trans-Cinnamaldehyde, 99%
CAS: 14371-10-9 Formula molecolare: C9H8O Molecular Weight (g/mol): 132.16 Numero MDL: MFCD00007000 InChI Key: KJPRLNWUNMBNBZ-QPJJXVBHSA-N Sinonimo: cinnamaldehyde,trans-cinnamaldehyde,cinnamic aldehyde,e-cinnamaldehyde,cinnamal,3-phenylacrylaldehyde,zimtaldehyde,cinnamylaldehyde,3-phenylpropenal,2e-3-phenylprop-2-enal PubChem CID: 637511 ChEBI: CHEBI:16731 SMILES: O=C\C=C\C1=CC=CC=C1
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| Sinonimo | cinnamaldehyde,trans-cinnamaldehyde,cinnamic aldehyde,e-cinnamaldehyde,cinnamal,3-phenylacrylaldehyde,zimtaldehyde,cinnamylaldehyde,3-phenylpropenal,2e-3-phenylprop-2-enal |
|---|---|
| Numero MDL | MFCD00007000 |
| PubChem CID | 637511 |
| Formula molecolare | C9H8O |
| CAS | 14371-10-9 |
| Molecular Weight (g/mol) | 132.16 |
| ChEBI | CHEBI:16731 |
| SMILES | O=C\C=C\C1=CC=CC=C1 |
| InChI Key | KJPRLNWUNMBNBZ-QPJJXVBHSA-N |
trans-4-Hydroxy-3-methoxycinnamic acid, 99%
CAS: 537-98-4 Formula molecolare: C10H10O4 Molecular Weight (g/mol): 194.19 Numero MDL: MFCD00004400 InChI Key: KSEBMYQBYZTDHS-HWKANZROSA-N Sinonimo: ferulic acid,trans-ferulic acid,4-hydroxy-3-methoxycinnamic acid,trans-4-hydroxy-3-methoxycinnamic acid,3-4-hydroxy-3-methoxyphenyl acrylic acid,e-ferulic acid,coniferic acid,ferulate,ferulic acid, trans,2-propenoic acid, 3-4-hydroxy-3-methoxyphenyl PubChem CID: 445858 ChEBI: CHEBI:17620 IUPAC Name: (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid SMILES: COC1=CC(\C=C\C(O)=O)=CC=C1O
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| Sinonimo | ferulic acid,trans-ferulic acid,4-hydroxy-3-methoxycinnamic acid,trans-4-hydroxy-3-methoxycinnamic acid,3-4-hydroxy-3-methoxyphenyl acrylic acid,e-ferulic acid,coniferic acid,ferulate,ferulic acid, trans,2-propenoic acid, 3-4-hydroxy-3-methoxyphenyl |
|---|---|
| Numero MDL | MFCD00004400 |
| PubChem CID | 445858 |
| Formula molecolare | C10H10O4 |
| CAS | 537-98-4 |
| Molecular Weight (g/mol) | 194.19 |
| ChEBI | CHEBI:17620 |
| SMILES | COC1=CC(\C=C\C(O)=O)=CC=C1O |
| IUPAC Name | (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid |
| InChI Key | KSEBMYQBYZTDHS-HWKANZROSA-N |
Ibuprofen, 99%, Thermo Scientific Chemicals
CAS: 15687-27-1 Formula molecolare: C13H18O2 Molecular Weight (g/mol): 206.29 Numero MDL: MFCD00010393 InChI Key: HEFNNWSXXWATRW-UHFFFAOYNA-N IUPAC Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(O)=O
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| Numero MDL | MFCD00010393 |
|---|---|
| Formula molecolare | C13H18O2 |
| CAS | 15687-27-1 |
| Molecular Weight (g/mol) | 206.29 |
| SMILES | CC(C)CC1=CC=C(C=C1)C(C)C(O)=O |
| IUPAC Name | 2-[4-(2-methylpropyl)phenyl]propanoic acid |
| InChI Key | HEFNNWSXXWATRW-UHFFFAOYNA-N |
Daidzin, 98%
CAS: 552-66-9 Formula molecolare: C21H20O9 Molecular Weight (g/mol): 416.38 Numero MDL: MFCD00017466 InChI Key: KYQZWONCHDNPDP-QNDFHXLGSA-N Sinonimo: daidzin,daidzoside,daidzein 7-o-glucoside,daidzein 7-glucoside,daidzein-7-glucoside,daidzein 7-o-beta-d-glucoside,unii-4r2x91a5m5,daidzein-7-o-glucoside,7-beta-d-glucopyranosyloxy-3-4-hydroxyphenyl-4h-1-benzopyran-4-one,7-o-b-d-glucopyranoside PubChem CID: 107971 ChEBI: CHEBI:42202 IUPAC Name: 3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one SMILES: OC[C@H]1O[C@@H](OC2=CC=C3C(=O)C(=COC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
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| Sinonimo | daidzin,daidzoside,daidzein 7-o-glucoside,daidzein 7-glucoside,daidzein-7-glucoside,daidzein 7-o-beta-d-glucoside,unii-4r2x91a5m5,daidzein-7-o-glucoside,7-beta-d-glucopyranosyloxy-3-4-hydroxyphenyl-4h-1-benzopyran-4-one,7-o-b-d-glucopyranoside |
|---|---|
| Numero MDL | MFCD00017466 |
| PubChem CID | 107971 |
| Formula molecolare | C21H20O9 |
| CAS | 552-66-9 |
| Molecular Weight (g/mol) | 416.38 |
| ChEBI | CHEBI:42202 |
| SMILES | OC[C@H]1O[C@@H](OC2=CC=C3C(=O)C(=COC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O |
| IUPAC Name | 3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| InChI Key | KYQZWONCHDNPDP-QNDFHXLGSA-N |
4-Isobutyl-alpha-methylphenylacetic acid, 99%
CAS: 15687-27-1 Formula molecolare: C13H18O2 Molecular Weight (g/mol): 206.29 Numero MDL: MFCD00010393 InChI Key: HEFNNWSXXWATRW-UHFFFAOYNA-N Sinonimo: ibuprofen,2-4-isobutylphenyl propanoic acid,motrin,brufen,nurofen,advil,dolgit,liptan,nuprin,anflagen PubChem CID: 3672 ChEBI: CHEBI:5855 IUPAC Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(O)=O
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| Sinonimo | ibuprofen,2-4-isobutylphenyl propanoic acid,motrin,brufen,nurofen,advil,dolgit,liptan,nuprin,anflagen |
|---|---|
| Numero MDL | MFCD00010393 |
| PubChem CID | 3672 |
| Formula molecolare | C13H18O2 |
| CAS | 15687-27-1 |
| Molecular Weight (g/mol) | 206.29 |
| ChEBI | CHEBI:5855 |
| SMILES | CC(C)CC1=CC=C(C=C1)C(C)C(O)=O |
| IUPAC Name | 2-[4-(2-methylpropyl)phenyl]propanoic acid |
| InChI Key | HEFNNWSXXWATRW-UHFFFAOYNA-N |
(+)-Rutin trihydrate, 95%
CAS: 250249-75-3 Formula molecolare: C27H36O19 Molecular Weight (g/mol): 664.566 Numero MDL: MFCD00149490 InChI Key: NLLBWFFSGHKUSY-JPRRWYCFSA-N Sinonimo: rutoside trihydrate,+-rutin trihydrate,rutin trihydrate,rutin hydrate,unii-rf4n03853g,2-3,4-dihydroxyphenyl-5,7-dihydroxy-3-2s,3r,4s,5s,6r-3,4,5-trihydroxy-6-2r,3r,4r,5r,6s-3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yl oxy methyl tetrahydro-2h-pyran-2-yl oxy-4h-chromen-4-one trihydrate,rutoside trihydrate ep,rutin hydrate jan,rutin trihydrate hplc,rutin trihydrate, analytical standard PubChem CID: 16218542 IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one;trihydrate SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O.O.O.O
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| Sinonimo | rutoside trihydrate,+-rutin trihydrate,rutin trihydrate,rutin hydrate,unii-rf4n03853g,2-3,4-dihydroxyphenyl-5,7-dihydroxy-3-2s,3r,4s,5s,6r-3,4,5-trihydroxy-6-2r,3r,4r,5r,6s-3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yl oxy methyl tetrahydro-2h-pyran-2-yl oxy-4h-chromen-4-one trihydrate,rutoside trihydrate ep,rutin hydrate jan,rutin trihydrate hplc,rutin trihydrate, analytical standard |
|---|---|
| Numero MDL | MFCD00149490 |
| PubChem CID | 16218542 |
| Formula molecolare | C27H36O19 |
| CAS | 250249-75-3 |
| Molecular Weight (g/mol) | 664.566 |
| SMILES | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O.O.O.O |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one;trihydrate |
| InChI Key | NLLBWFFSGHKUSY-JPRRWYCFSA-N |
Curcumin, 95% (total curcuminoid content), from Turmeric rhizome
CAS: 458-37-7 Formula molecolare: C21H20O6 Molecular Weight (g/mol): 368.39 Numero MDL: MFCD00008365 InChI Key: ZIUSSTSXXLLKKK-KOBPDPAPSA-N Sinonimo: curcumin,diferuloylmethane,natural yellow 3,turmeric yellow,turmeric,curcuma,kacha haldi,gelbwurz,halad,curcumin i PubChem CID: 969516 ChEBI: CHEBI:3962 IUPAC Name: (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione SMILES: COC1=CC(\C=C\C(\O)=C\C(=O)\C=C\C2=CC=C(O)C(OC)=C2)=CC=C1O
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| Sinonimo | curcumin,diferuloylmethane,natural yellow 3,turmeric yellow,turmeric,curcuma,kacha haldi,gelbwurz,halad,curcumin i |
|---|---|
| Numero MDL | MFCD00008365 |
| PubChem CID | 969516 |
| Formula molecolare | C21H20O6 |
| CAS | 458-37-7 |
| Molecular Weight (g/mol) | 368.39 |
| ChEBI | CHEBI:3962 |
| SMILES | COC1=CC(\C=C\C(\O)=C\C(=O)\C=C\C2=CC=C(O)C(OC)=C2)=CC=C1O |
| IUPAC Name | (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione |
| InChI Key | ZIUSSTSXXLLKKK-KOBPDPAPSA-N |
3-(3,4-Dihydroxyphenyl)propionic acid, 98+%
CAS: 1078-61-1 Formula molecolare: C9H10O4 Molecular Weight (g/mol): 182.175 Numero MDL: MFCD00002776 InChI Key: DZAUWHJDUNRCTF-UHFFFAOYSA-N Sinonimo: dihydrocaffeic acid,3-3,4-dihydroxyphenyl propionic acid,hydrocaffeic acid,3,4-dihydroxyhydrocinnamic acid,3-3,4-dihydroxyphenyl propanoic acid,benzenepropanoic acid, 3,4-dihydroxy,hydrocaffeic acid polymer,hykop,3,4-dihydroxyhydrocinnamate,3,4-dihydroxybenzenepropionic acid PubChem CID: 348154 ChEBI: CHEBI:48400 IUPAC Name: 3-(3,4-dihydroxyphenyl)propanoic acid SMILES: C1=CC(=C(C=C1CCC(=O)O)O)O
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| Sinonimo | dihydrocaffeic acid,3-3,4-dihydroxyphenyl propionic acid,hydrocaffeic acid,3,4-dihydroxyhydrocinnamic acid,3-3,4-dihydroxyphenyl propanoic acid,benzenepropanoic acid, 3,4-dihydroxy,hydrocaffeic acid polymer,hykop,3,4-dihydroxyhydrocinnamate,3,4-dihydroxybenzenepropionic acid |
|---|---|
| Numero MDL | MFCD00002776 |
| PubChem CID | 348154 |
| Formula molecolare | C9H10O4 |
| CAS | 1078-61-1 |
| Molecular Weight (g/mol) | 182.175 |
| ChEBI | CHEBI:48400 |
| SMILES | C1=CC(=C(C=C1CCC(=O)O)O)O |
| IUPAC Name | 3-(3,4-dihydroxyphenyl)propanoic acid |
| InChI Key | DZAUWHJDUNRCTF-UHFFFAOYSA-N |
Nujol, for IR spectroscopy
CAS: 8012-95-1 Formula molecolare: MFCD00131611 Molecular Weight (g/mol): 0.00 Numero MDL: MFCD00131611 InChI Key: FFNDMZIBVDSQFI-UHFFFAOYSA-N Sinonimo: delphinidin chloride,delphinidin,delphinidine,delphinidol,ephdine,delfinidol chloride,unii-em6md4aehe,ccris 2518,em6md4aehe,3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl benzopyrylium chloride PubChem CID: 68245 ChEBI: CHEBI:38701 IUPAC Name: 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol;chloride SMILES: *
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| Sinonimo | delphinidin chloride,delphinidin,delphinidine,delphinidol,ephdine,delfinidol chloride,unii-em6md4aehe,ccris 2518,em6md4aehe,3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl benzopyrylium chloride |
|---|---|
| Numero MDL | MFCD00131611 |
| PubChem CID | 68245 |
| Formula molecolare | MFCD00131611 |
| CAS | 8012-95-1 |
| Molecular Weight (g/mol) | 0.00 |
| ChEBI | CHEBI:38701 |
| SMILES | * |
| IUPAC Name | 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol;chloride |
| InChI Key | FFNDMZIBVDSQFI-UHFFFAOYSA-N |
Dibenzoylmethane, 98%
CAS: 120-46-7 Formula molecolare: C15H12O2 Molecular Weight (g/mol): 224.26 Numero MDL: MFCD00003085 InChI Key: NZZIMKJIVMHWJC-UHFFFAOYSA-N Sinonimo: dibenzoylmethane,1,3-diphenyl-1,3-propanedione,2-benzoylacetophenone,phenyl phenacyl ketone,1,3-propanedione, 1,3-diphenyl,rhodiastab 83,omega-benzoylacetophenone,dibenzoyl-methane,karenzu dk2,unii-ans7me8okc PubChem CID: 8433 ChEBI: CHEBI:75417 IUPAC Name: 1,3-diphenylpropane-1,3-dione SMILES: C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2
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| Sinonimo | dibenzoylmethane,1,3-diphenyl-1,3-propanedione,2-benzoylacetophenone,phenyl phenacyl ketone,1,3-propanedione, 1,3-diphenyl,rhodiastab 83,omega-benzoylacetophenone,dibenzoyl-methane,karenzu dk2,unii-ans7me8okc |
|---|---|
| Numero MDL | MFCD00003085 |
| PubChem CID | 8433 |
| Formula molecolare | C15H12O2 |
| CAS | 120-46-7 |
| Molecular Weight (g/mol) | 224.26 |
| ChEBI | CHEBI:75417 |
| SMILES | C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2 |
| IUPAC Name | 1,3-diphenylpropane-1,3-dione |
| InChI Key | NZZIMKJIVMHWJC-UHFFFAOYSA-N |
trans-4-Hydroxycinnamic acid, 98%
CAS: 501-98-4 Formula molecolare: C9H8O3 Molecular Weight (g/mol): 164.16 Numero MDL: MFCD00004399 InChI Key: NGSWKAQJJWESNS-ZZXKWVIFSA-N Sinonimo: p-coumaric acid,4-hydroxycinnamic acid,p-hydroxycinnamic acid,4-coumaric acid,trans-4-hydroxycinnamic acid,trans-p-coumaric acid,p-cumaric acid,3-4-hydroxyphenyl acrylic acid,para-coumaric acid,hydroxycinnamic acid PubChem CID: 637542 ChEBI: CHEBI:32374 IUPAC Name: (E)-3-(4-hydroxyphenyl)prop-2-enoic acid SMILES: C1=CC(=CC=C1C=CC(=O)O)O
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| Sinonimo | p-coumaric acid,4-hydroxycinnamic acid,p-hydroxycinnamic acid,4-coumaric acid,trans-4-hydroxycinnamic acid,trans-p-coumaric acid,p-cumaric acid,3-4-hydroxyphenyl acrylic acid,para-coumaric acid,hydroxycinnamic acid |
|---|---|
| Numero MDL | MFCD00004399 |
| PubChem CID | 637542 |
| Formula molecolare | C9H8O3 |
| CAS | 501-98-4 |
| Molecular Weight (g/mol) | 164.16 |
| ChEBI | CHEBI:32374 |
| SMILES | C1=CC(=CC=C1C=CC(=O)O)O |
| IUPAC Name | (E)-3-(4-hydroxyphenyl)prop-2-enoic acid |
| InChI Key | NGSWKAQJJWESNS-ZZXKWVIFSA-N |
4-Methylumbelliferone, 97%
CAS: 90-33-5 Formula molecolare: C10H8O3 Molecular Weight (g/mol): 176.17 Numero MDL: MFCD00006866 InChI Key: HSHNITRMYYLLCV-UHFFFAOYSA-N Sinonimo: 4-methylumbelliferone,hymecromone,7-hydroxy-4-methylcoumarin,imecromone,7-hydroxy-4-methyl-2h-chromen-2-one,cholestil,mendiaxon,4-methyl-7-hydroxycoumarin,beta-methylumbelliferone,bilcolic PubChem CID: 5280567 ChEBI: CHEBI:17224 IUPAC Name: 7-hydroxy-4-methylchromen-2-one SMILES: CC1=CC(=O)OC2=CC(O)=CC=C12
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| Sinonimo | 4-methylumbelliferone,hymecromone,7-hydroxy-4-methylcoumarin,imecromone,7-hydroxy-4-methyl-2h-chromen-2-one,cholestil,mendiaxon,4-methyl-7-hydroxycoumarin,beta-methylumbelliferone,bilcolic |
|---|---|
| Numero MDL | MFCD00006866 |
| PubChem CID | 5280567 |
| Formula molecolare | C10H8O3 |
| CAS | 90-33-5 |
| Molecular Weight (g/mol) | 176.17 |
| ChEBI | CHEBI:17224 |
| SMILES | CC1=CC(=O)OC2=CC(O)=CC=C12 |
| IUPAC Name | 7-hydroxy-4-methylchromen-2-one |
| InChI Key | HSHNITRMYYLLCV-UHFFFAOYSA-N |
3,5-Di-tert-butyl-4-hydroxyphenylpropionic acid, 98%
CAS: 20170-32-5 Numero MDL: MFCD00017519 Sinonimo: 3-3,5-di-tert-butyl-4-hydroxyphenyl propionic acid,3-3,5-di-tert-butyl-4-hydroxyphenyl propanoic acid,fenozan,3,5-di-tert-butyl-4-hydroxyphenylpropionic acid,benzenepropanoic acid, 3,5-bis 1,1-dimethylethyl-4-hydroxy,unii-x6g09g700f,3,5-di-tert-butyl-4-hydroxyhydocinnamic acid,3,5-bis 1,1-dimethylethyl-4-hydroxybenzenepropanoic acid,3-3,5-ditertbutyl-4-hydroxyphenyl propionic acid,3-3,5-bis tert-butyl-4-hydroxyphenyl propanoic acid PubChem CID: 88389 IUPAC Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid
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| Sinonimo | 3-3,5-di-tert-butyl-4-hydroxyphenyl propionic acid,3-3,5-di-tert-butyl-4-hydroxyphenyl propanoic acid,fenozan,3,5-di-tert-butyl-4-hydroxyphenylpropionic acid,benzenepropanoic acid, 3,5-bis 1,1-dimethylethyl-4-hydroxy,unii-x6g09g700f,3,5-di-tert-butyl-4-hydroxyhydocinnamic acid,3,5-bis 1,1-dimethylethyl-4-hydroxybenzenepropanoic acid,3-3,5-ditertbutyl-4-hydroxyphenyl propionic acid,3-3,5-bis tert-butyl-4-hydroxyphenyl propanoic acid |
|---|---|
| Numero MDL | MFCD00017519 |
| PubChem CID | 88389 |
| CAS | 20170-32-5 |
| IUPAC Name | 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid |
Rutin, 97+%
CAS: 207671-50-9 Formula molecolare: C27H30O16 Molecular Weight (g/mol): 610.52 Numero MDL: MFCD01319140 InChI Key: IKGXIBQEEMLURG-NVPNHPEKSA-N Sinonimo: rutin,rutoside,phytomelin,quercetin 3-rutinoside,birutan,eldrin,myrticolorin,venoruton,3-rutinosyl quercetin,bioflavonoid PubChem CID: 5280805 ChEBI: CHEBI:28527 IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one SMILES: C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
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| Sinonimo | rutin,rutoside,phytomelin,quercetin 3-rutinoside,birutan,eldrin,myrticolorin,venoruton,3-rutinosyl quercetin,bioflavonoid |
|---|---|
| Numero MDL | MFCD01319140 |
| PubChem CID | 5280805 |
| Formula molecolare | C27H30O16 |
| CAS | 207671-50-9 |
| Molecular Weight (g/mol) | 610.52 |
| ChEBI | CHEBI:28527 |
| SMILES | C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one |
| InChI Key | IKGXIBQEEMLURG-NVPNHPEKSA-N |
Paraffin, liquid, pure
CAS: 8012-95-1 Formula molecolare: MFCD00131611 Molecular Weight (g/mol): 0.00 Numero MDL: MFCD00131611 InChI Key: FFNDMZIBVDSQFI-UHFFFAOYSA-N Sinonimo: delphinidin chloride,delphinidin,delphinidine,delphinidol,ephdine,delfinidol chloride,unii-em6md4aehe,ccris 2518,em6md4aehe,3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl benzopyrylium chloride PubChem CID: 68245 ChEBI: CHEBI:38701 IUPAC Name: 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol;chloride SMILES: *
| Sinonimo | delphinidin chloride,delphinidin,delphinidine,delphinidol,ephdine,delfinidol chloride,unii-em6md4aehe,ccris 2518,em6md4aehe,3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl benzopyrylium chloride |
|---|---|
| Numero MDL | MFCD00131611 |
| PubChem CID | 68245 |
| Formula molecolare | MFCD00131611 |
| CAS | 8012-95-1 |
| Molecular Weight (g/mol) | 0.00 |
| ChEBI | CHEBI:38701 |
| SMILES | * |
| IUPAC Name | 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol;chloride |
| InChI Key | FFNDMZIBVDSQFI-UHFFFAOYSA-N |