EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:230298 - Ocotillol

ChEBI IDCHEBI:230298
ChEBI NameOcotillol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H52O3
Net Charge0
Average Mass460.743
Monoisotopic Mass460.39165
SMILESCC(C)(O)C1CCC(C)(C2CCC3(C)C2CCC2C4(C)CCC(O)C(C)(C)C4CCC23C)O1
InChIInChI=1S/C30H52O3/c1-25(2)21-12-17-29(7)22(27(21,5)15-13-23(25)31)10-9-19-20(11-16-28(19,29)6)30(8)18-14-24(33-30)26(3,4)32/h19-24,31-32H,9-18H2,1-8H3
InChIKeyRQBNSDSKUAGBOI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Ocotillol (CHEBI:230298) is a triterpenoid saponin (CHEBI:61778)
IUPAC Name 
17-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Manual XrefsDatabases
HMDB0255888HMDB
3075678ChemSpider