CHEBI:168362 - Torosaflavone A

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ChEBI Name Torosaflavone A
ChEBI ID CHEBI:168362
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H20O8
Net Charge 0
Average Mass 400.383
Monoisotopic Mass 400.11582
InChI InChI=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
InChIKey NORMTIXLPBZOKX-FYNQTZHUSA-N
SMILES O1[C@](C[C@@H](O)[C@@H](O)C1C)(C2=C(O)C3=C(OC(=CC3=O)C4=CC=C(O)C=C4)C=C2O)[H]
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
24843256 ChemSpider
LMPK12110202 LIPID MAPS
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