14,15-irpexanoxide (CHEBI:202750)

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CHEBI:202750 - 14,15-irpexanoxide

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ChEBI ID	CHEBI:202750
ChEBI Name	14,15-irpexanoxide
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C36H62O8
Net Charge	0
Average Mass	622.884
Monoisotopic Mass	622.44447
SMILES	CC(C)=CCC/C(C)=C/CCC(C)(O)C(CCC1OC1(C)CC/C=C(\C)CCC=C(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
InChI	InChI=1S/C36H62O8/c1-24(2)13-9-15-26(5)17-11-21-35(7,41)29(43-34-33(40)32(39)31(38)28(23-37)42-34)19-20-30-36(8,44-30)22-12-18-27(6)16-10-14-25(3)4/h13-14,17-18,28-34,37-41H,9-12,15-16,19-23H2,1-8H3/b26-17+,27-18+/t28-,29?,30?,31-,32+,33+,34+,35?,36?/m1/s1
InChIKey	QBDCMLASZXKWQJ-NUMZQHTLSA-N

Species of Metabolite	Component	Source	Comments
Irpex (ncbitaxon:5318)	-	PubMed (11132959)

ChEBI Ontology

Outgoing Relation(s)
	14,15-irpexanoxide (CHEBI:202750) is a triterpenoid (CHEBI:36615)

IUPAC Name
(2S,3S,4S,5S,6R)-2-[(7E)-1-[3-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-methyloxiran-2-yl]-4-hydroxy-4,8,12-trimethyltrideca-7,11-dien-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Manual Xrefs	Databases
8614316	ChemSpider