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CHEBI:172740 - Cyclopassifloic acid E

Default Structure
ChEBI IDCHEBI:172740
ChEBI NameCyclopassifloic acid E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H52O8
Net Charge0
Average Mass552.749
Monoisotopic Mass552.36622
SMILESCC(C)C(O)(CO)CCC(C)(O)C1C(O)CC2(C)C3CCC4C(C)(C(=O)O)C(O)CC(O)C45CC35CCC12C
InChIInChI=1S/C31H52O8/c1-17(2)30(39,16-32)12-10-27(5,38)23-18(33)14-26(4)19-7-8-20-28(6,24(36)37)21(34)13-22(35)31(20)15-29(19,31)11-9-25(23,26)3/h17-23,32-35,38-39H,7-16H2,1-6H3,(H,36,37)
InChIKeyDXAVXXNAJINCIJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Cyclopassifloic acid E (CHEBI:172740) is a triterpenoid (CHEBI:36615)
IUPAC Name 
15-[2,5-dihydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]-4,6,14-trihydroxy-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid
Manual XrefsDatabases
74886449ChemSpider
HMDB0036298HMDB