CHEBI:174582 - Isovestitol

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ChEBI Name Isovestitol
ChEBI ID CHEBI:174582
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C16H16O4
Net Charge 0
Average Mass 272.300
Monoisotopic Mass 272.10486
InChI InChI=1S/C16H16O4/c1-19-16-8-13(18)4-5-14(16)11-6-10-2-3-12(17)7-15(10)20-9-11/h2-5,7-8,11,17-18H,6,9H2,1H3
InChIKey FFDNYMAHNWBKCH-UHFFFAOYSA-N
SMILES O1CC(CC2=C1C=C(O)C=C2)C3=C(OC)C=C(O)C=C3
ChEBI Ontology
Outgoing Isovestitol (CHEBI:174582) is a ether (CHEBI:25698)
Isovestitol (CHEBI:174582) is a flavonoids (CHEBI:72544)
IUPAC Name
3-(4-hydroxy-2-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
Manual Xrefs Databases
514489 ChemSpider
HMDB0030526 HMDB
LMPK12080028 LIPID MAPS
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Registry Number Type Source
63631-42-5 CAS Registry Number ChemIDplus