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CHEBI:168737 - Lethedoside B

ChEBI IDCHEBI:168737
ChEBI NameLethedoside B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28O12
Net Charge0
Average Mass520.487
Monoisotopic Mass520.15808
SMILESCOc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(=O)cc(-c3cc(OC)c(OC)c(OC)c3)oc2c1
InChIInChI=1S/C25H28O12/c1-31-12-7-15-20(16(8-12)36-25-23(30)22(29)21(28)19(10-26)37-25)13(27)9-14(35-15)11-5-17(32-2)24(34-4)18(6-11)33-3/h5-9,19,21-23,25-26,28-30H,10H2,1-4H3/t19-,21-,22+,23-,25-/m1/s1
InChIKeyDODIZDNNBLHXPJ-FGBFUVBKSA-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)
Lethedoside B (CHEBI:168737) is a flavonoids (CHEBI:72544)
Lethedoside B (CHEBI:168737) is a glycoside (CHEBI:24400)
IUPAC Name 
7-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
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9931120ChemSpider