EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:168248 - Lucuminic acid

ChEBI IDCHEBI:168248
ChEBI NameLucuminic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H26O12
Net Charge0
Average Mass446.405
Monoisotopic Mass446.14243
SMILESO=C(O)C(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)c1ccccc1
InChIInChI=1S/C19H26O12/c20-9-6-28-18(14(24)11(9)21)29-7-10-12(22)13(23)15(25)19(30-10)31-16(17(26)27)8-4-2-1-3-5-8/h1-5,9-16,18-25H,6-7H2,(H,26,27)
InChIKeyDUZCTLMSDUOYAW-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)
Lucuminic acid (CHEBI:168248) is a glycoside (CHEBI:24400)
IUPAC Name 
2-phenyl-2-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxyacetic acid
Manual XrefsDatabases
HMDB0035007HMDB