CHEBI:69814 - isovitexin 8-C-β-glucoside

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ChEBI Name isovitexin 8-C-β-glucoside
ChEBI ID CHEBI:69814
ChEBI ASCII Name isovitexin 8-C-beta-glucoside
Definition A C-glycosyl compound that is isovitexin in which the hydrogen at position 8 is replaced by a β-D-glucosyl residue.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:75440, CHEBI:9974
Supplier Information
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Formula C27H30O15
Net Charge 0
Average Mass 594.51810
Monoisotopic Mass 594.15847
InChI InChI=1S/C27H30O15/c28-6-12-17(32)21(36)23(38)26(41-12)15-19(34)14-10(31)5-11(8-1-3-9(30)4-2-8)40-25(14)16(20(15)35)27-24(39)22(37)18(33)13(7-29)42-27/h1-5,12-13,17-18,21-24,26-30,32-39H,6-7H2/t12-,13-,17-,18-,21+,22+,23-,24-,26+,27+/m1/s1
InChIKey FIAAVMJLAGNUKW-VQVVXJKKSA-N
SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2oc(cc(=O)c2c1O)-c1ccc(O)cc1
Metabolite of Species Details
Urtica circularis (IPNI:260621-2) Found in aerial part (BTO:0001658). 80% ethanolic extract of dried, powdered aerial parts See: PubMed
Passiflora edulis (NCBI:txid78168) See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing isovitexin 8-C-β-glucoside (CHEBI:69814) has functional parent isovitexin (CHEBI:18330)
isovitexin 8-C-β-glucoside (CHEBI:69814) has role metabolite (CHEBI:25212)
isovitexin 8-C-β-glucoside (CHEBI:69814) is a C-glycosyl compound (CHEBI:20857)
isovitexin 8-C-β-glucoside (CHEBI:69814) is a trihydroxyflavone (CHEBI:27116)
IUPAC Name
5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-4H-chromen-4-one
Synonyms Sources
5,7,4'-Trihydroxyflavone-6,8-di-C-glucoside KEGG COMPOUND
apigenin-6,8-C-diglucoside ChEBI
apigenin-6,8-di-C-glycopyranoside ChEBI
Apigenin-6,8-di-C-glycoside KEGG COMPOUND
isovitexin 8-C-glucoside ChEBI
Vicenin-2 KEGG COMPOUND
Manual Xrefs Databases
C00006229 KNApSAcK
C10195 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
1338580 Reaxys Registry Number Reaxys
23666-13-9 CAS Registry Number KEGG COMPOUND
Last Modified
15 January 2018