CHEBI:186599 - 5,6,7-Trihydroxyflavone 7-(6''-malonylglucoside)

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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 5,6,7-Trihydroxyflavone 7-(6''-malonylglucoside)
ChEBI ID CHEBI:186599
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H22O13
Net Charge 0
Average Mass 518.427
Monoisotopic Mass 518.10604
InChI InChI=1S/C24H22O13/c25-11-6-12(10-4-2-1-3-5-10)35-13-7-14(19(29)21(31)18(11)13)36-24-23(33)22(32)20(30)15(37-24)9-34-17(28)8-16(26)27/h1-7,15,20,22-24,29-33H,8-9H2,(H,26,27)/t15?,20-,22+,23?,24-/m1/s1
InChIKey NLRUTPIOMCJQKC-YXMIPKSVSA-N
SMILES O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(=CC(=O)C3=C(O)C2O)C4=CC=CC=C4)COC(=O)CC(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
Nitrosopumilus maritimus str. SCM1 (NCBI:txid436308) Found in cell culture (BTO:0000214). See: MetaboLights Study
ChEBI Ontology
Outgoing 5,6,7-Trihydroxyflavone 7-(6''-malonylglucoside) (CHEBI:186599) is a flavonoids (CHEBI:72544)
5,6,7-Trihydroxyflavone 7-(6''-malonylglucoside) (CHEBI:186599) is a glycoside (CHEBI:24400)
IUPAC Name
3-[[(3S,4S,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
Manual Xrefs Databases
24844032 ChemSpider
LMPK12111089 LIPID MAPS
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