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CHEBI:186214 - Pisumoside B

ChEBI IDCHEBI:186214
ChEBI NamePisumoside B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H52O16
Net Charge0
Average Mass692.752
Monoisotopic Mass692.32554
SMILESCC1(C(=O)OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)CCCC2(C)C1C(O)C(O)C13CC(CO)C(O)(CCC21)C3
InChIInChI=1S/C32H52O16/c1-29-5-3-6-30(2,24(29)22(41)25(42)31-8-13(9-33)32(44,12-31)7-4-16(29)31)28(43)48-27-23(20(39)18(37)15(11-35)46-27)47-26-21(40)19(38)17(36)14(10-34)45-26/h13-27,33-42,44H,3-12H2,1-2H3
InChIKeyYOTRDVISFUJMJN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Pisumoside B (CHEBI:186214) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] 2,3,13-trihydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
Manual XrefsDatabases
HMDB0037125HMDB