CHEBI:174679 - 9-O-Methylcoumestrol

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ChEBI Name 9-O-Methylcoumestrol
ChEBI ID CHEBI:174679
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
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Formula C16H10O5
Net Charge 0
Average Mass 282.251
Monoisotopic Mass 282.05282
InChI InChI=1S/C16H10O5/c1-19-9-3-5-10-13(7-9)20-15-11-4-2-8(17)6-12(11)21-16(18)14(10)15/h2-7,17H,1H3
InChIKey HHEZPZWGHDOWCQ-UHFFFAOYSA-N
SMILES O1C2=C(C3=C1C=C(OC)C=C3)C(OC4=C2C=CC(O)=C4)=O
ChEBI Ontology
Outgoing 9-O-Methylcoumestrol (CHEBI:174679) is a coumestans (CHEBI:72577)
IUPAC Name
3-hydroxy-9-methoxy-[1]benzouro[3,2-c]chromen-6-one
Manual Xrefs Databases
4477838 ChemSpider
HMDB0033588 HMDB
LMPK12090019 LIPID MAPS
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Registry Number Type Source
1690-62-6 CAS Registry Number ChemIDplus