CHEBI:186105 - Luteolin 7-glucoside-4'-(Z-2-methyl-2-butenoate)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Luteolin 7-glucoside-4'-(Z-2-methyl-2-butenoate)
ChEBI ID CHEBI:186105
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H26O12
Net Charge 0
Average Mass 530.482
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-TXLQBJIPSA-N
SMILES O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC(O)=C(OC(=O)/C(/C)=C\C)C=C4)CO
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing Luteolin 7-glucoside-4'-(Z-2-methyl-2-butenoate) (CHEBI:186105) is a flavonoids (CHEBI:72544)
Luteolin 7-glucoside-4'-(Z-2-methyl-2-butenoate) (CHEBI:186105) is a glycoside (CHEBI:24400)
IUPAC Name
[2-hydroxy-4-[5-hydroxy-4-oxo-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-yl]phenyl] (Z)-2-methylbut-2-enoate
Manual Xrefs Databases
24843747 ChemSpider
LMPK12110717 LIPID MAPS
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