CHEBI:174243 - 3-Hydroxy-8,9-dimethoxycoumestan

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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ChEBI Name 3-Hydroxy-8,9-dimethoxycoumestan
ChEBI ID CHEBI:174243
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
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Formula C17H12O6
Net Charge 0
Average Mass 312.277
Monoisotopic Mass 312.06339
InChI InChI=1S/C17H12O6/c1-20-13-6-10-12(7-14(13)21-2)22-16-9-4-3-8(18)5-11(9)23-17(19)15(10)16/h3-7,18H,1-2H3
InChIKey PKLPURDVDNBFCI-UHFFFAOYSA-N
SMILES O1C2=C(C=3C1=CC(OC)=C(OC)C3)C(OC4=C2C=CC(O)=C4)=O
ChEBI Ontology
Outgoing 3-Hydroxy-8,9-dimethoxycoumestan (CHEBI:174243) is a coumestans (CHEBI:72577)
IUPAC Name
3-hydroxy-8,9-dimethoxy-[1]benzouro[3,2-c]chromen-6-one
Manual Xrefs Databases
4678016 ChemSpider
HMDB0030561 HMDB
LMPK12090028 LIPID MAPS
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Registry Number Type Source
5252-40-4 CAS Registry Number ChemIDplus