CHEBI:85149 - luteolin 7-O-β-D-glucoside-4'-(Z-2-methyl-2-butenoate)

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ChEBI Name luteolin 7-O-β-D-glucoside-4'-(Z-2-methyl-2-butenoate)
ChEBI ID CHEBI:85149
ChEBI ASCII Name luteolin 7-O-beta-D-glucoside-4'-(Z-2-methyl-2-butenoate)
Definition An enoate ester obtained by the formal condensation of the 4'-hydroxy group of luteolin 7-O-β-D-glucoside with the carboxy group of angelic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C26H26O12
Net Charge 0
Average Mass 530.47740
Monoisotopic Mass 530.14243
InChI InChI=1S/C26H26O12/c1-3-11(2)25(34)37-17-5-4-12(6-14(17)28)18-9-16(30)21-15(29)7-13(8-19(21)36-18)35-26-24(33)23(32)22(31)20(10-27)38-26/h3-9,20,22-24,26-29,31-33H,10H2,1-2H3/b11-3-/t20-,22-,23+,24-,26-/m1/s1
InChIKey VEORDRJFZGGQLP-YQROEJBVSA-N
SMILES C\C=C(\C)C(=O)Oc1ccc(cc1O)-c1cc(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2o1
Metabolite of Species Details
Centella asiatica (NCBI:txid48106) See: MetaboLights Study
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing luteolin 7-O-β-D-glucoside-4'-(Z-2-methyl-2-butenoate) (CHEBI:85149) has functional parent angelic acid (CHEBI:36431)
luteolin 7-O-β-D-glucoside-4'-(Z-2-methyl-2-butenoate) (CHEBI:85149) has functional parent luteolin 7-O-β-D-glucoside (CHEBI:27994)
luteolin 7-O-β-D-glucoside-4'-(Z-2-methyl-2-butenoate) (CHEBI:85149) has role plant metabolite (CHEBI:76924)
luteolin 7-O-β-D-glucoside-4'-(Z-2-methyl-2-butenoate) (CHEBI:85149) is a β-D-glucoside (CHEBI:22798)
luteolin 7-O-β-D-glucoside-4'-(Z-2-methyl-2-butenoate) (CHEBI:85149) is a dihydroxyflavone (CHEBI:38686)
luteolin 7-O-β-D-glucoside-4'-(Z-2-methyl-2-butenoate) (CHEBI:85149) is a enoate ester (CHEBI:51702)
luteolin 7-O-β-D-glucoside-4'-(Z-2-methyl-2-butenoate) (CHEBI:85149) is a glycosyloxyflavone (CHEBI:50018)
luteolin 7-O-β-D-glucoside-4'-(Z-2-methyl-2-butenoate) (CHEBI:85149) is a monosaccharide derivative (CHEBI:63367)
IUPAC Name
4-[7-(β-D-glucopyranosyloxy)-5-hydroxy-4-oxo-4H-chromen-2-yl]-2-hydroxyphenyl (2Z)-2-methylbut-2-enoate
Synonym Source
5,3'-dihydroxy-4'-O-angeloxyflavone-7-O-β-D-glucopyranoside ChEBI
Manual Xref Database
C00013668 KNApSAcK
View more database links
Registry Number Type Source
9241697 Reaxys Registry Number Reaxys
Last Modified
09 March 2015