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CHEBI:174837 - Isotrifoliol

ChEBI IDCHEBI:174837
ChEBI NameIsotrifoliol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H10O6
Net Charge0
Average Mass298.250
Monoisotopic Mass298.04774
SMILESCOc1cc(O)cc2oc(=O)c3c4ccc(O)cc4oc3c12
InChIInChI=1S/C16H10O6/c1-20-11-5-8(18)6-12-14(11)15-13(16(19)22-12)9-3-2-7(17)4-10(9)21-15/h2-6,17-18H,1H3
InChIKeyOVLUQDOJWGTPHA-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Isotrifoliol (CHEBI:174837) is a coumestans (CHEBI:72577)
IUPAC Name 
3,9-dihydroxy-1-methoxy-[1]benzouro[3,2-c]chromen-6-one
Manual XrefsDatabases
HMDB0036305HMDB
4477198ChemSpider
Registry NumbersSources
CAS:329319-08-6ChemIDplus