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CHEBI:190053 - Cyclotricuspidogenin C

Default Structure
ChEBI IDCHEBI:190053
ChEBI NameCyclotricuspidogenin C
Stars
Last Modified21 August 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H52O7
Net Charge0
Average Mass536.750
Monoisotopic Mass536.37130
SMILESCC(CCC(O)(CO)C(C)C)C1C(O)CC2(C)C3CCC4C(C)(C(=O)O)C(O)CC(O)C45CC35CCC12C
InChIInChI=1S/C31H52O7/c1-17(2)30(38,16-32)10-9-18(3)24-19(33)14-27(5)20-7-8-21-28(6,25(36)37)22(34)13-23(35)31(21)15-29(20,31)12-11-26(24,27)4/h17-24,32-35,38H,7-16H2,1-6H3,(H,36,37)
InChIKeyCPHVNLRAJPTYSD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708) flower (BTO:0000469) MetaboLights (MTBLS3950)
ChEBI Ontology
Outgoing Relation(s)
Cyclotricuspidogenin C (CHEBI:190053) is a triterpenoid (CHEBI:36615)
IUPAC Name 
4,6,14-trihydroxy-15-[5-hydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid
Synonym  Source
1,3,16,24-Tetrahydroxy-24-(hydroxymethyl)-9,19-cyclolanostan-28-oic acidChEBI
Manual XrefsDatabases
74886398ChemSpider
HMDB0033635HMDB