(1S,6R,7R,10S)-aspergilloid D (CHEBI:223813)

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CHEBI:223813 - (1S,6R,7R,10S)-aspergilloid D

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ChEBI ID	CHEBI:223813
ChEBI Name	(1S,6R,7R,10S)-aspergilloid D
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C15H22O4
Net Charge	0
Average Mass	266.337
Monoisotopic Mass	266.15181
SMILES	CC(C)[C@H]1CC[C@H](C(=O)O)[C@H]2CCC(C(=O)O)=C[C@@H]21
InChI	InChI=1S/C15H22O4/c1-8(2)10-5-6-12(15(18)19)11-4-3-9(14(16)17)7-13(10)11/h7-8,10-13H,3-6H2,1-2H3,(H,16,17)(H,18,19)/t10-,11-,12+,13-/m1/s1
InChIKey	ZOKQSCUWIKMMTB-FVCCEPFGSA-N

Species of Metabolite	Component	Source	Comments
Aspergillus flavus (ncbitaxon:5059)	-	PubMed (31050424)

ChEBI Ontology

Outgoing Relation(s)
	(1S,6R,7R,10S)-aspergilloid D (CHEBI:223813) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name
(1S,4R,4aR,8aS)-4-propan-2-yl-1,2,3,4,4a,7,8,8a-octahydronaphthalene-1,6-dicarboxylic acid

Manual Xrefs	Databases
128442864	ChemSpider