Azaphilone Multiformin B (CHEBI:201275)

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CHEBI:201275 - Azaphilone Multiformin B

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ChEBI ID	CHEBI:201275
ChEBI Name	Azaphilone Multiformin B
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Submitter	MetaboLights
Downloads	Molfile

Formula	C24H24O6
Net Charge	0
Average Mass	408.450
Monoisotopic Mass	408.15729
SMILES	CCC(C)C(=O)C1=C2C3=COC([C@H]4C(=O)C=CC[C@@H]4C)=CC3=CC(=O)[C@@]2(C)OC1=O
InChI	InChI=1S/C24H24O6/c1-5-12(2)22(27)20-21-15-11-29-17(19-13(3)7-6-8-16(19)25)9-14(15)10-18(26)24(21,4)30-23(20)28/h6,8-13,19H,5,7H2,1-4H3/t12?,13-,19+,24+/m0/s1
InChIKey	HPSKGDOQAYWCCU-ASXBLVSNSA-N

Species of Metabolite	Component	Source	Comments
Hypoxylon (ncbitaxon:42308)	-	PubMed (16320209)

ChEBI Ontology

Outgoing Relation(s)
	Azaphilone Multiformin B (CHEBI:201275) is a cyclohexenones (CHEBI:48953)

IUPAC Name
(6aS)-6a-methyl-9-(2-methylbutanoyl)-3-[(1S,6S)-6-methyl-2-oxocyclohex-3-en-1-yl]uro[2,3-h]isochromene-6,8-dione

Manual Xrefs	Databases
78436743	ChemSpider