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CHEBI:183022 - Torosaflavone B 3'-O-beta-D-glucopyranoside

ChEBI IDCHEBI:183022
ChEBI NameTorosaflavone B 3'-O-beta-D-glucopyranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H32O14
Net Charge0
Average Mass592.550
Monoisotopic Mass592.17921
SMILES[H][C@]1(c2c(O)cc3oc(-c4ccc(OC)c(O[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O)c4)cc(=O)c3c2O)C[C@@H](O)[C@@H](O)C(C)O1
InChIInChI=1S/C28H32O14/c1-10-23(33)14(32)8-18(39-10)21-13(31)7-19-22(25(21)35)12(30)6-16(40-19)11-3-4-15(38-2)17(5-11)41-28-27(37)26(36)24(34)20(9-29)42-28/h3-7,10,14,18,20,23-24,26-29,31-37H,8-9H2,1-2H3/t10?,14-,18-,20?,23+,24-,26+,27?,28-/m1/s1
InChIKeyUAGXUOZTLLGXAK-TUBSJWQLSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) Esophagus (BTO:0000959) MetaboLights (MTBLS3014)
ChEBI Ontology
Outgoing Relation(s)
Torosaflavone B 3'-O-beta-D-glucopyranoside (CHEBI:183022) is a flavonoids (CHEBI:72544)
Torosaflavone B 3'-O-beta-D-glucopyranoside (CHEBI:183022) is a glycoside (CHEBI:24400)
IUPAC Name 
6-[(2R,4R,5R)-4,5-dihydroxy-6-methyloxan-2-yl]-5,7-dihydroxy-2-[4-methoxy-3-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
Manual XrefsDatabases
LMPK12110809LIPID MAPS
24843828ChemSpider