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CHEBI:168194 - L-DOPA 3'-glucoside

ChEBI IDCHEBI:168194
ChEBI NameL-DOPA 3'-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H21NO9
Net Charge0
Average Mass359.331
Monoisotopic Mass359.12163
SMILESNC(Cc1ccc(O)c(OC2OC(CO)C(O)C(O)C2O)c1)C(=O)O
InChIInChI=1S/C15H21NO9/c16-7(14(22)23)3-6-1-2-8(18)9(4-6)24-15-13(21)12(20)11(19)10(5-17)25-15/h1-2,4,7,10-13,15,17-21H,3,5,16H2,(H,22,23)
InChIKeyNIMVDZOWEYJNTR-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)
L-DOPA 3'-glucoside (CHEBI:168194) is a tyrosine derivative (CHEBI:62761)
IUPAC Name 
2-amino-3-[4-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoic acid
Manual XrefsDatabases
HMDB0029452HMDB