EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:175743 - Camelliagenin A

Default Structure
ChEBI IDCHEBI:175743
ChEBI NameCamelliagenin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H50O4
Net Charge0
Average Mass474.726
Monoisotopic Mass474.37091
SMILESCC1(C)CC(O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
InChIInChI=1S/C30H50O4/c1-25(2)14-19-18-8-9-21-27(5)12-11-22(32)26(3,4)20(27)10-13-28(21,6)29(18,7)16-24(34)30(19,17-31)23(33)15-25/h8,19-24,31-34H,9-17H2,1-7H3
InChIKeyCTNHZEZBBGIUJB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Camelliagenin A (CHEBI:175743) is a triterpenoid (CHEBI:36615)
IUPAC Name 
8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8,9-triol
Manual XrefsDatabases
532470ChemSpider
HMDB0034528HMDB