Aurafuron B (CHEBI:201097)

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CHEBI:201097 - Aurafuron B

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ChEBI ID	CHEBI:201097
ChEBI Name	Aurafuron B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C22H32O4
Net Charge	0
Average Mass	360.494
Monoisotopic Mass	360.23006
SMILES	CC1=C(/C=C/C=C\C=C\[C@@H](C)[C@@H](O)/C(C)=C/CC(C)C)OC(C)(O)C1=O
InChI	InChI=1S/C22H32O4/c1-15(2)13-14-17(4)20(23)16(3)11-9-7-8-10-12-19-18(5)21(24)22(6,25)26-19/h7-12,14-16,20,23,25H,13H2,1-6H3/b8-7-,11-9+,12-10+,17-14+/t16-,20-,22?/m1/s1
InChIKey	CEFLFJSAQJIEGR-HCPLIJRZSA-N

Species of Metabolite	Component	Source	Comments
Stigmatella aurantiaca (ncbitaxon:41)	-	PubMed (15981410)

ChEBI Ontology

Outgoing Relation(s)
	Aurafuron B (CHEBI:201097) is a aliphatic alcohol (CHEBI:2571)

IUPAC Name
2-hydroxy-5-[(1E,3Z,5E,7R,8R,9E)-8-hydroxy-7,9,12-trimethyltrideca-1,3,5,9-tetraenyl]-2,4-dimethyluran-3-one

Manual Xrefs	Databases
9454878	ChemSpider