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CHEBI:17379 - isovitexin 2''-O-β-D-glucoside
| Formula | C27H30O15 |
| Net Charge | 0 |
| Average Mass | 594.522 |
| Monoisotopic Mass | 594.15847 |
| SMILES | O=c1cc(-c2ccc(O)cc2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12 |
| InChI | InChI=1S/C27H30O15/c28-7-15-20(34)23(37)26(42-27-24(38)22(36)19(33)16(8-29)41-27)25(40-15)18-12(32)6-14-17(21(18)35)11(31)5-13(39-14)9-1-3-10(30)4-2-9/h1-6,15-16,19-20,22-30,32-38H,7-8H2/t15-,16-,19-,20-,22+,23+,24-,25+,26-,27?/m1/s1 |
| InChIKey | RQTTXGQDIROLTQ-FLJXCGGLSA-N |
| Roles Classification |
|---|
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| isovitexin 2''-O-β-D-glucoside (CHEBI:17379) has functional parent isovitexin (CHEBI:18330) |
| isovitexin 2''-O-β-D-glucoside (CHEBI:17379) has role metabolite (CHEBI:25212) |
| isovitexin 2''-O-β-D-glucoside (CHEBI:17379) is a C-glycosyl compound (CHEBI:20857) |
| isovitexin 2''-O-β-D-glucoside (CHEBI:17379) is a disaccharide derivative (CHEBI:63353) |
| isovitexin 2''-O-β-D-glucoside (CHEBI:17379) is a trihydroxyflavone (CHEBI:27116) |
| isovitexin 2''-O-β-D-glucoside (CHEBI:17379) is conjugate acid of isovitexin 2''-O-β-D-glucoside(1−) (CHEBI:58124) |
| Incoming Relation(s) |
| isovitexin 2''-O-β-D-glucoside(1−) (CHEBI:58124) is conjugate base of isovitexin 2''-O-β-D-glucoside (CHEBI:17379) |
| IUPAC Name |
|---|
| (1S)-1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-2-O-β-D-glucopyranosyl-D-glucitol |
| Synonyms | Source |
|---|---|
| Isovitexin 2''-O-beta-D-glucoside | KEGG COMPOUND |
| Meloside A | HMDB |
| Manual Xrefs | Databases |
|---|---|
| C04199 | KEGG COMPOUND |
| ISOVITEXIN-2-O-B-D-GLUCOSIDE | MetaCyc |
| HMDB0029484 | HMDB |
| LMPK12110217 | LIPID MAPS |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1417079 | Reaxys |
| CAS:60767-80-8 | ChemIDplus |
| Citations |
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