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CHEBI:169199 - Ophrysanin

Default Structure
ChEBI IDCHEBI:169199
ChEBI NameOphrysanin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H21O14
Net Charge+1
Average Mass521.407
Monoisotopic Mass521.09258
SMILESO=C(O)C(=O)OCC1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)C(O)C(O)[C@@H]1O
InChIInChI=1S/C23H20O14/c24-9-4-12(26)10-6-15(20(35-14(10)5-9)8-1-2-11(25)13(27)3-8)36-23-19(30)18(29)17(28)16(37-23)7-34-22(33)21(31)32/h1-6,16-19,23,28-30H,7H2,(H4-,24,25,26,27,31,32)/p+1/t16?,17-,18?,19?,23-/m1/s1
InChIKeyADNURPZCKUPWPT-POQVSETFSA-O
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Ophrysanin (CHEBI:169199) is a anthocyanidin glycoside (CHEBI:71583)
IUPAC Name 
2-[[(3S,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-2-oxoacetic acid
Manual XrefsDatabases
24842180ChemSpider
LMPK12010133LIPID MAPS