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CHEBI:169092 - Catechin 7-O-apiofuranoside

ChEBI IDCHEBI:169092
ChEBI NameCatechin 7-O-apiofuranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H22O10
Net Charge0
Average Mass422.386
Monoisotopic Mass422.12130
SMILESOC[C@@]1(O)CO[C@@H](Oc2cc(O)c3c(c2)O[C@H](c2ccc(O)c(O)c2)[C@@H](O)C3)[C@@H]1O
InChIInChI=1S/C20H22O10/c21-7-20(27)8-28-19(18(20)26)29-10-4-13(23)11-6-15(25)17(30-16(11)5-10)9-1-2-12(22)14(24)3-9/h1-5,15,17-19,21-27H,6-8H2/t15-,17+,18-,19-,20+/m0/s1
InChIKeyOZEIRJMOKXRLCR-AXDKOMKPSA-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)
Catechin 7-O-apiofuranoside (CHEBI:169092) is a catechin (CHEBI:23053)
IUPAC Name 
(2R,3S)-7-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5-diol
Manual XrefsDatabases
LMPK12020058LIPID MAPS
10290167ChemSpider