8-deoxyophiobolin J (CHEBI:215735)

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CHEBI:215735 - 8-deoxyophiobolin J

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ChEBI ID	CHEBI:215735
ChEBI Name	8-deoxyophiobolin J
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C25H36O3
Net Charge	0
Average Mass	384.560
Monoisotopic Mass	384.26645
SMILES	CC(C)=C[C@H]1C[C@H](C)[C@]2(CC[C@]3(C)C[C@@H]4C(C)=CC(=O)/C4=C(\CO)CC[C@H]32)O1
InChI	InChI=1S/C25H36O3/c1-15(2)10-19-12-17(4)25(28-19)9-8-24(5)13-20-16(3)11-21(27)23(20)18(14-26)6-7-22(24)25/h10-11,17,19-20,22,26H,6-9,12-14H2,1-5H3/b23-18-/t17-,19-,20+,22+,24+,25-/m0/s1
InChIKey	KBVUMTBTOOWMSA-YPMNBEDASA-N

Species of Metabolite	Component	Source	Comments
Bipolaris oryzae (ncbitaxon:101162)	-	DOI (10.1021/jo00245a008)

ChEBI Ontology

Outgoing Relation(s)
	8-deoxyophiobolin J (CHEBI:215735) is a sesterterpenoid (CHEBI:26660)

IUPAC Name
(1'R,2S,3S,3'R,5R,7'Z,11'R)-8'-(hydroxymethyl)-1',3,4'-trimethyl-5-(2-methylprop-1-enyl)spiro[oxolane-2,12'-tricyclo[9.3.0.03,7]tetradeca-4,7-diene]-6'-one

Manual Xrefs	Databases
78442783	ChemSpider