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CHEBI:172136 - Caffeoylcycloartenol

Default Structure
ChEBI IDCHEBI:172136
ChEBI NameCaffeoylcycloartenol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H56O4
Net Charge0
Average Mass588.873
Monoisotopic Mass588.41786
SMILESCC(C)=CCCC(C)C1CCC2(C)C3CCC4C(C)(C)C(OC(=O)/C=C/c5ccc(O)c(O)c5)CCC45CC35CCC12C
InChIInChI=1S/C39H56O4/c1-25(2)9-8-10-26(3)28-17-19-37(7)32-15-14-31-35(4,5)33(18-20-38(31)24-39(32,38)22-21-36(28,37)6)43-34(42)16-12-27-11-13-29(40)30(41)23-27/h9,11-13,16,23,26,28,31-33,40-41H,8,10,14-15,17-22,24H2,1-7H3/b16-12+
InChIKeyQKNCKSQAXGWPIK-FOWTUZBSSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
Caffeoylcycloartenol (CHEBI:172136) is a triterpenoid (CHEBI:36615)
IUPAC Name 
[7,7,12,16-tetramethyl-15-(6-methylhept-5-en-2-yl)-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Manual XrefsDatabases
74886488ChemSpider
HMDB0040807HMDB