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CHEBI:176294 - Cyclopassifloside IV

ChEBI IDCHEBI:176294
ChEBI NameCyclopassifloside IV
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H62O12
Net Charge0
Average Mass698.891
Monoisotopic Mass698.42413
SMILESCC(C)C(O)(CO)CCC(C)(O)C1CCC2(C)C3CCC4C(C)(C(=O)OC5OC(CO)C(O)C(O)C5O)C(O)CC(O)C45CC35CCC12C
InChIInChI=1S/C37H62O12/c1-19(2)36(47,18-39)14-12-33(5,46)21-9-10-31(3)22-7-8-23-34(6,30(45)49-29-28(44)27(43)26(42)20(16-38)48-29)24(40)15-25(41)37(23)17-35(22,37)13-11-32(21,31)4/h19-29,38-44,46-47H,7-18H2,1-6H3
InChIKeySDQDTRRWJPGVGF-UHFFFAOYSA-N
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)
Cyclopassifloside IV (CHEBI:176294) is a triterpenoid saponin (CHEBI:61778)
IUPAC Name 
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 15-[2,5-dihydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]-4,6-dihydroxy-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylate
Manual XrefsDatabases
74886438ChemSpider
HMDB0035946HMDB