CHEBI:180149 - Neovestitol

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ChEBI Name Neovestitol
ChEBI ID CHEBI:180149
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/c1-19-13-4-2-10-6-11(9-20-16(10)8-13)14-5-3-12(17)7-15(14)18/h2-5,7-8,11,17-18H,6,9H2,1H3
InChIKey IAYVKGXLPAEGDI-UHFFFAOYSA-N
SMILES O1CC(CC2=C1C=C(OC)C=C2)C3=C(O)C=C(O)C=C3
ChEBI Ontology
Outgoing Neovestitol (CHEBI:180149) is a ether (CHEBI:25698)
Neovestitol (CHEBI:180149) is a flavonoids (CHEBI:72544)
IUPAC Name
4-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)benzene-1,3-diol
Manual Xrefs Databases
24843078 ChemSpider
LMPK12080029 LIPID MAPS
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