Azaphilone Multformin A (CHEBI:212870)

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CHEBI:212870 - Azaphilone Multformin A

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ChEBI ID	CHEBI:212870
ChEBI Name	Azaphilone Multformin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C24H26O6
Net Charge	0
Average Mass	410.466
Monoisotopic Mass	410.17294
SMILES	CCC(C)C(=O)[C@@H]1C(=O)O[C@]2(C)C(=O)C=C3C=C([C@H]4C(=O)C=CC[C@@H]4C)OC=C3[C@H]12
InChI	InChI=1S/C24H26O6/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/h6,8-13,19-21H,5,7H2,1-4H3/t12?,13-,19+,20+,21+,24+/m0/s1
InChIKey	XWZLEZYQBPPTPD-AKXGVURMSA-N

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

ChEBI Ontology

Outgoing Relation(s)
	Azaphilone Multformin A (CHEBI:212870) is a cyclohexenones (CHEBI:48953)

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

Manual Xrefs	Databases
78438556	ChemSpider