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CHEBI:168344 - 11,13-Dihydrotaraxinic acid glucosyl ester

ChEBI IDCHEBI:168344
ChEBI Name11,13-Dihydrotaraxinic acid glucosyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30O9
Net Charge0
Average Mass426.462
Monoisotopic Mass426.18898
SMILES[H][C@@]12/C=C(\C)CC/C=C(/C(=O)O[C@@H]3[C@@H](O)[C@H](O)O[C@H](CO)[C@H]3O)CC[C@@]1([H])C(C)C(=O)O2
InChIInChI=1S/C21H30O9/c1-10-4-3-5-12(6-7-13-11(2)19(25)28-14(13)8-10)20(26)30-18-16(23)15(9-22)29-21(27)17(18)24/h5,8,11,13-18,21-24,27H,3-4,6-7,9H2,1-2H3/b10-8+,12-5+/t11?,13-,14+,15+,16+,17+,18-,21+/m0/s1
InChIKeyGHCVBVCIPFPICQ-RYCRGVOFSA-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)
11,13-Dihydrotaraxinic acid glucosyl ester (CHEBI:168344) is a lipopolysaccharide (CHEBI:16412)
IUPAC Name 
[(2R,3R,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl] (3aS,6E,10E,11aS)-3,10-dimethyl-2-oxo-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]uran-6-carboxylate
Manual XrefsDatabases
HMDB0035867HMDB
30777145ChemSpider