Ustusolate C (CHEBI:221181)

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CHEBI:221181 - Ustusolate C

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ChEBI ID	CHEBI:221181
ChEBI Name	Ustusolate C
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C23H32O6
Net Charge	0
Average Mass	404.503
Monoisotopic Mass	404.21989
SMILES	CC(O)C/C=C/C=C/C(=O)O[C@@H]1C=C2COC(=O)[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@H]12
InChI	InChI=1S/C23H32O6/c1-15(24)9-6-5-7-10-18(25)29-17-13-16-14-28-20(26)23(16,27)22(4)12-8-11-21(2,3)19(17)22/h5-7,10,13,15,17,19,24,27H,8-9,11-12,14H2,1-4H3/b6-5+,10-7+/t15?,17-,19+,22+,23+/m1/s1
InChIKey	GWQSYRUODDDVOT-WMQXXUAISA-N

Species of Metabolite	Component	Source	Comments
Aspergillus (ncbitaxon:5052)	-	PubMed (19769341)

ChEBI Ontology

Outgoing Relation(s)
	Ustusolate C (CHEBI:221181) is a naphthofuran (CHEBI:39270)

IUPAC Name
[(5R,5aS,9aS,9bS)-9b-hydroxy-6,6,9a-trimethyl-1-oxo-3,5,5a,7,8,9-hexahydrobenzo[e][2]benzouran-5-yl] (2E,4E)-7-hydroxyocta-2,4-dienoate

Manual Xrefs	Databases
24657991	ChemSpider