CHEBI:197061 - Luteolin 7-methylglucuronide

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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-methylglucuronide
ChEBI ID CHEBI:197061
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H20O12
Net Charge 0
Average Mass 476.390
Monoisotopic Mass 476.09548
InChI InChI=1S/C22H20O12/c1-31-21(30)20-18(28)17(27)19(29)22(34-20)32-9-5-12(25)16-13(26)7-14(33-15(16)6-9)8-2-3-10(23)11(24)4-8/h2-7,17-20,22-25,27-29H,1H3/t17-,18-,19?,20?,22+/m0/s1
InChIKey VQDVPEBDINWLHZ-PVJCQVCVSA-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(O)C=C4)C(OC)=O
Metabolite of Species Details
Cannabis sativa (NCBI:txid3483) Found in inflorescence (BTO:0000628). of strain Cannabis sativa var. DMG265 See: MetaboLights Study
ChEBI Ontology
Outgoing Luteolin 7-methylglucuronide (CHEBI:197061) is a flavonoids (CHEBI:72544)
Luteolin 7-methylglucuronide (CHEBI:197061) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name
methyl (3S,4S,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate
Manual Xrefs Databases
24843676 ChemSpider
LMPK12110646 LIPID MAPS
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