CHEBI:188004 - Apigenin 7-galacturonide

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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 Apigenin 7-galacturonide
ChEBI ID CHEBI:188004
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H18O11
Net Charge 0
Average Mass 446.364
Monoisotopic Mass 446.08491
InChI InChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17+,18?,19?,21+/m0/s1
InChIKey JBFOLLJCGUCDQP-BWZUQWQCSA-N
SMILES O1C([C@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC=C(O)C=C4)C(O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing Apigenin 7-galacturonide (CHEBI:188004) is a flavonoids (CHEBI:72544)
Apigenin 7-galacturonide (CHEBI:188004) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name
(3R,4S,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid
Manual Xrefs Databases
24843399 ChemSpider
LMPK12110345 LIPID MAPS
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