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CHEBI:169782 - Pisumoside A

ChEBI IDCHEBI:169782
ChEBI NamePisumoside A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H62O21
Net Charge0
Average Mass854.893
Monoisotopic Mass854.37836
SMILESCC1(C(=O)OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)CCCC2(C)C1C(O)C(O)C13CC(COC4OC(CO)C(O)C(O)C4O)C(O)(CCC21)C3
InChIInChI=1S/C38H62O21/c1-35-5-3-6-36(2,34(52)59-33-28(24(47)21(44)17(11-41)57-33)58-32-26(49)23(46)20(43)16(10-40)56-32)29(35)27(50)30(51)37-8-14(38(53,13-37)7-4-18(35)37)12-54-31-25(48)22(45)19(42)15(9-39)55-31/h14-33,39-51,53H,3-13H2,1-2H3
InChIKeyKOGDNIPXKVTMKI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Pisumoside A (CHEBI:169782) 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-5,9-dimethyl-14-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
Manual XrefsDatabases
HMDB0037126HMDB