CHEBI:178569 - Angustone B

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ChEBI Name Angustone B
ChEBI ID CHEBI:178569
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
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Formula C25H24O6
Net Charge 0
Average Mass 420.461
Monoisotopic Mass 420.15729
InChI InChI=1S/C25H24O6/c1-13(2)5-6-15-18(26)11-20-21(23(15)28)24(29)17(12-30-20)14-7-8-19-16(22(14)27)9-10-25(3,4)31-19/h5,7-12,26-28H,6H2,1-4H3
InChIKey QQUXNFZAFOMGTQ-UHFFFAOYSA-N
SMILES O1C(C=CC2=C1C=CC(=C2O)C=3C(=O)C4=C(OC3)C=C(O)C(=C4O)CC=C(C)C)(C)C
ChEBI Ontology
Outgoing Angustone B (CHEBI:178569) is a isoflavanones (CHEBI:38741)
IUPAC Name
5,7-dihydroxy-3-(5-hydroxy-2,2-dimethylchromen-6-yl)-6-(3-methylbut-2-enyl)chromen-4-one
Manual Xrefs Databases
4587185 ChemSpider
LMPK12050322 LIPID MAPS
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Registry Number Type Source
100462-54-2 CAS Registry Number ChemIDplus