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CHEBI:169657 - Lepidimoic acid

ChEBI IDCHEBI:169657
ChEBI NameLepidimoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H18O10
Net Charge0
Average Mass322.266
Monoisotopic Mass322.09000
SMILESCC1OC(O)C(OC2OC(C(=O)O)=CC(O)C2O)C(O)C1O
WURCSWURCS=2.0/1,1,0/[axxxxm-1x_1-5_2*OC^XC^XC^XC=^XCCO/8=O/7O$3/5O/4O]/1/
InChIInChI=1S/C12H18O10/c1-3-6(14)8(16)9(11(19)20-3)22-12-7(15)4(13)2-5(21-12)10(17)18/h2-4,6-9,11-16,19H,1H3,(H,17,18)
InChIKeyPBUKNNGDHZLXKG-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)
Lepidimoic acid (CHEBI:169657) is a disaccharide (CHEBI:36233)
IUPAC Name 
3,4-dihydroxy-2-(2,4,5-trihydroxy-6-methyloxan-3-yl)oxy-3,4-dihydro-2H-pyran-6-carboxylic acid
Manual XrefsDatabases
HMDB0041096HMDB
3677082ChemSpider