CJ-13,014 (CHEBI:199616)

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CHEBI:199616 - CJ-13,014

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ChEBI ID	CHEBI:199616
ChEBI Name	CJ-13,014
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C24H34O6
Net Charge	0
Average Mass	418.530
Monoisotopic Mass	418.23554
SMILES	COc1cc(OC)c2c(c1)C(CCCCCC[C@@H]1CC[C@]3(CC[C@@H](C)O3)O1)OC2=O
InChI	InChI=1S/C24H34O6/c1-16-10-12-24(29-16)13-11-17(30-24)8-6-4-5-7-9-20-19-14-18(26-2)15-21(27-3)22(19)23(25)28-20/h14-17,20H,4-13H2,1-3H3/t16-,17-,20?,24+/m1/s1
InChIKey	MDVWGBKYBVEXHU-MECNPVCTSA-N

Species of Metabolite	Component	Source	Comments
Phanerochaete velutina (ncbitaxon:194680)	-	PubMed (9402988)

ChEBI Ontology

Outgoing Relation(s)
	CJ-13,014 (CHEBI:199616) is a benzofurans (CHEBI:35259)

IUPAC Name
5,7-dimethoxy-3-[6-[(2R,5S,7R)-7-methyl-1,6-dioxaspiro[4.4]nonan-2-yl]hexyl]-3H-2-benzouran-1-one

Manual Xrefs	Databases
78436519	ChemSpider