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CHEBI:191417 - Glucosyl passiflorate

ChEBI IDCHEBI:191417
ChEBI NameGlucosyl passiflorate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H60O12
Net Charge0
Average Mass696.875
Monoisotopic Mass696.40848
SMILESCC(C1CC(O)(C(C)C)C(O)O1)C1CCC2(C)C3CCC4C(C)(C(=O)OC5OC(CO)C(O)C(O)C5O)C(O)CC(O)C45CC35CCC12C
InChIInChI=1S/C37H60O12/c1-17(2)37(46)14-20(48-31(37)45)18(3)19-9-10-33(5)22-7-8-23-34(6,30(44)49-29-28(43)27(42)26(41)21(15-38)47-29)24(39)13-25(40)36(23)16-35(22,36)12-11-32(19,33)4/h17-29,31,38-43,45-46H,7-16H2,1-6H3
InChIKeyKKUOJZVNLJCTPF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) MetaboLights (MTBLS4572)
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)
Glucosyl passiflorate (CHEBI:191417) is a triterpenoid saponin (CHEBI:61778)
IUPAC Name 
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 15-[1-(4,5-dihydroxy-4-propan-2-yloxolan-2-yl)ethyl]-4,6-dihydroxy-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylate
Manual XrefsDatabases
HMDB0038141HMDB
21171849ChemSpider