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CHEBI:186154 - OH-Diaponeurosporene glucoside ester

Default Structure
ChEBI IDCHEBI:186154
ChEBI NameOH-Diaponeurosporene glucoside ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H54O6
Net Charge0
Average Mass582.822
Monoisotopic Mass582.39204
SMILESCC(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)CCCC(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)C(O)C1O
InChIInChI=1S/C36H54O6/c1-26(2)15-11-18-29(5)21-12-19-27(3)16-9-10-17-28(4)20-13-22-30(6)23-14-24-36(7,8)42-35-34(40)33(39)32(38)31(25-37)41-35/h9-13,15-22,31-35,37-40H,14,23-25H2,1-8H3/b10-9+,18-11+,19-12+,20-13+,27-16+,28-17+,29-21+,30-22+/t31-,32-,33?,34?,35+/m1/s1
InChIKeyPWAYOKPSDOKFKY-IAXLMKCISA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
OH-Diaponeurosporene glucoside ester (CHEBI:186154) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2S,5S,6R)-2-[(6E,8E,10E,12E,14E,16E,18E,20E)-2,6,10,15,19,23-hexamethyltetracosa-6,8,10,12,14,16,18,20,22-nonaen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
17220979ChemSpider
LMPR01070224LIPID MAPS