Neomarinone (CHEBI:213795)

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CHEBI:213795 - Neomarinone

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ChEBI ID	CHEBI:213795
ChEBI Name	Neomarinone
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C26H32O5
Net Charge	0
Average Mass	424.537
Monoisotopic Mass	424.22497
SMILES	CC1=C(O)c2c(cc(O)c3c2O[C@H](C)[C@@]3(C)C/C=C(/C)C2(C)CCCC2C)C(=O)C1=O
InChI	InChI=1S/C26H32O5/c1-13-8-7-10-25(13,5)14(2)9-11-26(6)16(4)31-24-19-17(12-18(27)20(24)26)23(30)22(29)15(3)21(19)28/h9,12-13,16,27-28H,7-8,10-11H2,1-6H3/b14-9-/t13?,16-,25?,26-/m1/s1
InChIKey	GLYMAVAIGBFVIQ-JWKJSACTSA-N

Species of Metabolite	Component	Source	Comments
Actinomyces (ncbitaxon:1654)	-	DOI (10.1016/s0040-4039(00)00117-9)

ChEBI Ontology

Outgoing Relation(s)
	Neomarinone (CHEBI:213795) is a naphthofuran (CHEBI:39270)

IUPAC Name
(2R,3S)-3-[(Z)-3-(1,2-dimethylcyclopentyl)but-2-enyl]-4,9-dihydroxy-2,3,8-trimethyl-2H-benzo[g][1]benzouran-6,7-dione

Manual Xrefs	Databases
8563083	ChemSpider