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CHEBI:230314 - R1-Barrigenol

Default Structure
ChEBI IDCHEBI:230314
ChEBI NameR1-Barrigenol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H50O6
Net Charge0
Average Mass506.724
Monoisotopic Mass506.36074
SMILESCC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)C(O)C(O)C2(CO)C(O)C1O
InChIInChI=1S/C30H50O6/c1-25(2)14-17-16-8-9-19-27(5)12-11-20(32)26(3,4)18(27)10-13-28(19,6)29(16,7)22(34)24(36)30(17,15-31)23(35)21(25)33/h8,17-24,31-36H,9-15H2,1-7H3
InChIKeyDZVVEETZRZUXLI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
R1-Barrigenol (CHEBI:230314) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,4,5,6,10-pentol
Manual XrefsDatabases
538302ChemSpider
HMDB0302409HMDB