10,11-oxidosqualene (CHEBI:215045)

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CHEBI:215045 - 10,11-oxidosqualene

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ChEBI ID	CHEBI:215045
ChEBI Name	10,11-oxidosqualene
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H50O
Net Charge	0
Average Mass	426.729
Monoisotopic Mass	426.38617
SMILES	CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC1OC1(C)CC/C=C(\C)CCC=C(C)C
InChI	InChI=1S/C30H50O/c1-24(2)14-9-16-26(5)18-11-19-27(6)20-12-22-29-30(8,31-29)23-13-21-28(7)17-10-15-25(3)4/h14-15,18,20-21,29H,9-13,16-17,19,22-23H2,1-8H3/b26-18+,27-20+,28-21+
InChIKey	OZBVWSJPTAXJQA-JSFDVHLOSA-N

Species of Metabolite	Component	Source	Comments
Sclerotinia (ncbitaxon:5179)	-	DOI (10.1016/s0040-4039(00)78043-9)

ChEBI Ontology

Outgoing Relation(s)
	10,11-oxidosqualene (CHEBI:215045) is a triterpenoid (CHEBI:36615)

IUPAC Name
2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-methyl-3-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]oxirane

Manual Xrefs	Databases
23175874	ChemSpider