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CHEBI:168362 - Torosaflavone A

ChEBI IDCHEBI:168362
ChEBI NameTorosaflavone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O8
Net Charge0
Average Mass400.383
Monoisotopic Mass400.11582
SMILES[H][C@]1(c2c(O)cc3oc(-c4ccc(O)cc4)cc(=O)c3c2O)C[C@@H](O)[C@@H](O)C(C)O1
InChIInChI=1S/C21H20O8/c1-9-20(26)14(25)8-16(28-9)18-13(24)7-17-19(21(18)27)12(23)6-15(29-17)10-2-4-11(22)5-3-10/h2-7,9,14,16,20,22,24-27H,8H2,1H3/t9?,14-,16-,20+/m1/s1
InChIKeyNORMTIXLPBZOKX-FYNQTZHUSA-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)
Torosaflavone A (CHEBI:168362) is a C-glycosyl compound (CHEBI:20857)
Torosaflavone A (CHEBI:168362) is a flavonoids (CHEBI:72544)
IUPAC Name 
6-[(2R,4R,5R)-4,5-dihydroxy-6-methyloxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Manual XrefsDatabases
LMPK12110202LIPID MAPS
24843256ChemSpider