Nigrosporapyrone A (CHEBI:224633)

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CHEBI:224633 - Nigrosporapyrone A

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ChEBI ID	CHEBI:224633
ChEBI Name	Nigrosporapyrone A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C18H22O5
Net Charge	0
Average Mass	318.369
Monoisotopic Mass	318.14672
SMILES	COc1cc([C@H]2[C@@H]3CCC[C@@H](O)[C@@H]3C=C[C@@H]2C)oc(=O)c1C=O
InChI	InChI=1S/C18H22O5/c1-10-6-7-11-12(4-3-5-14(11)20)17(10)16-8-15(22-2)13(9-19)18(21)23-16/h6-12,14,17,20H,3-5H2,1-2H3/t10-,11+,12+,14+,17+/m0/s1
InChIKey	SSSAXSWSFJNJIO-GCXGIZPZSA-N

Species of Metabolite	Component	Source	Comments
Nigrospora (ncbitaxon:114230)	-	PubMed (19237178)

ChEBI Ontology

Outgoing Relation(s)
	Nigrosporapyrone A (CHEBI:224633) is a pyranone (CHEBI:37963)

IUPAC Name
6-[(1R,2S,4aR,5R,8aR)-5-hydroxy-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-4-methoxy-2-oxopyran-3-carbaldehyde

Manual Xrefs	Databases
27024104	ChemSpider