Azaphilone Multiformin D (CHEBI:200024)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:200024 - Azaphilone Multiformin D

Take structure to advanced search

ChEBI ID	CHEBI:200024
ChEBI Name	Azaphilone Multiformin D
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C24H26O7
Net Charge	0
Average Mass	426.465
Monoisotopic Mass	426.16785
SMILES	CCC(C)C(=O)C1=C2C3=COC([C@H]4C(=O)C[C@H](O)C[C@@H]4C)=CC3=CC(=O)[C@@]2(C)OC1=O
InChI	InChI=1S/C24H26O7/c1-5-11(2)22(28)20-21-15-10-30-17(19-12(3)6-14(25)9-16(19)26)7-13(15)8-18(27)24(21,4)31-23(20)29/h7-8,10-12,14,19,25H,5-6,9H2,1-4H3/t11?,12-,14+,19+,24+/m0/s1
InChIKey	QZPKGTSDNWWTII-XMAJUEHOSA-N

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

ChEBI Ontology

Outgoing Relation(s)
	Azaphilone Multiformin D (CHEBI:200024) is a cyclohexenones (CHEBI:48953)

IUPAC Name
(6aS)-3-[(1S,2S,4R)-4-hydroxy-2-methyl-6-oxocyclohexyl]-6a-methyl-9-(2-methylbutanoyl)uro[2,3-h]isochromene-6,8-dione

Manual Xrefs	Databases
78436569	ChemSpider