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CHEBI:143058 - Sapimukoside J

Default Structure
ChEBI IDCHEBI:143058
ChEBI NameSapimukoside J
Stars
Submittermwilliams
DownloadsMolfile
FormulaC44H72O12
Net Charge0
Average Mass793.048
Monoisotopic Mass792.50238
SMILES[H][C@@]1(OC[C@@]2([H])O[C@@]([H])(O[C@@]3([H])CC[C@]4(C)[C@@]5([H])CC[C@@]6(C)[C@]([H])([C@]7([H])C[C@]([H])(C=C(C)C)O[C@]7([H])OCC)CC[C@]6(C)C5=CC[C@@]4([H])C3(C)C)[C@]([H])(O)[C@@]([H])(O)[C@]2([H])O)O[C@@]([H])(C)[C@]([H])(O)[C@@]([H])(O)[C@@]1([H])O
InChIInChI=1S/C44H72O12/c1-10-51-38-25(20-24(54-38)19-22(2)3)26-13-17-44(9)28-11-12-30-41(5,6)31(15-16-42(30,7)27(28)14-18-43(26,44)8)56-40-37(50)35(48)33(46)29(55-40)21-52-39-36(49)34(47)32(45)23(4)53-39/h11,19,23-27,29-40,45-50H,10,12-18,20-21H2,1-9H3/t23-,24-,25-,26-,27-,29+,30-,31-,32-,33+,34+,35-,36+,37+,38-,39+,40-,42+,43-,44+/m0/s1
InChIKeyWXPLNLUCIZYQKD-BXOMEGNASA-N
Species of MetaboliteComponentSourceComments
Solanum lycopersicum (ncbitaxon:4081) leaf (BTO:0000713) MetaboLights (MTBLS618) Strain: Solanum lycopersicum cv. Santa Cruz Kada
ChEBI Ontology
Outgoing Relation(s)
Sapimukoside J (CHEBI:143058) is a triterpenoid (CHEBI:36615)
Citations