Irpexan (CHEBI:208836)

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CHEBI:208836 - Irpexan

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ChEBI ID	CHEBI:208836
ChEBI Name	Irpexan
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C36H62O7
Net Charge	0
Average Mass	606.885
Monoisotopic Mass	606.44955
SMILES	CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(C)(O)CC/C=C(\C)CCC=C(C)C
InChI	InChI=1S/C36H62O7/c1-25(2)14-9-16-27(5)18-11-19-28(6)20-12-22-31(43-35-34(40)33(39)32(38)30(24-37)42-35)36(8,41)23-13-21-29(7)17-10-15-26(3)4/h14-15,18,20-21,30-35,37-41H,9-13,16-17,19,22-24H2,1-8H3/b27-18+,28-20+,29-21+/t30-,31?,32-,33+,34+,35+,36?/m1/s1
InChIKey	AAEDIAWSKYSEKJ-ULWXIDRDSA-N

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

ChEBI Ontology

Outgoing Relation(s)
	Irpexan (CHEBI:208836) is a triterpenoid (CHEBI:36615)

IUPAC Name
(2S,3S,4S,5S,6R)-2-[(6E,14E,18E)-10-hydroxy-2,6,10,15,19,23-hexamethyltetracosa-2,6,14,18,22-pentaen-11-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Manual Xrefs	Databases
8707147	ChemSpider