EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:230226 - Cimiaserin B

Default Structure
ChEBI IDCHEBI:230226
ChEBI NameCimiaserin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H48O5
Net Charge0
Average Mass488.709
Monoisotopic Mass488.35017
SMILESCC1C2OC(C)(C)C(O)C2(O)OC2CC3(C)C4CCC5C(C)(C)C(O)CCC56CC46CCC3(C)C21
InChIInChI=1S/C30H48O5/c1-16-21-17(34-30(33)22(16)35-25(4,5)23(30)32)14-27(7)19-9-8-18-24(2,3)20(31)10-11-28(18)15-29(19,28)13-12-26(21,27)6/h16-23,31-33H,8-15H2,1-7H3
InChIKeyYLEIFZAVNWDOBM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
Cimiaserin B (CHEBI:230226) is a triterpenoid (CHEBI:36615)
IUPAC Name 
1,6,6,15,17,20,20-heptamethyl-19,23-dioxaheptacyclo[13.10.0.02,12.05,10.010,12.016,24.018,22]pentacosane-7,21,22-triol
Manual XrefsDatabases
HMDB0250251HMDB