14,15-dihydroxyirpexan (CHEBI:215260)

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CHEBI:215260 - 14,15-dihydroxyirpexan

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ChEBI ID	CHEBI:215260
ChEBI Name	14,15-dihydroxyirpexan
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C36H64O9
Net Charge	0
Average Mass	640.899
Monoisotopic Mass	640.45503
SMILES	CC(C)=CCC/C(C)=C/CCC(C)(O)C(O)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/C36H64O9/c1-24(2)13-9-15-26(5)17-11-21-35(7,42)29(38)19-20-30(45-34-33(41)32(40)31(39)28(23-37)44-34)36(8,43)22-12-18-27(6)16-10-14-25(3)4/h13-14,17-18,28-34,37-43H,9-12,15-16,19-23H2,1-8H3/b26-17+,27-18+/t28-,29?,30?,31-,32+,33+,34+,35?,36?/m1/s1
InChIKey	BPAZLCDDGKMQTO-NUMZQHTLSA-N

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

ChEBI Ontology

Outgoing Relation(s)
	14,15-dihydroxyirpexan (CHEBI:215260) is a triterpenoid (CHEBI:36615)

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

Manual Xrefs	Databases
8898133	ChemSpider