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CHEBI:168189 - Puddumin A

Default Structure
ChEBI IDCHEBI:168189
ChEBI NamePuddumin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H24O10
Net Charge0
Average Mass448.424
Monoisotopic Mass448.13695
SMILESCOc1cc(OC2OC(CO)C(O)C(O)C2O)cc2c1C(=O)CC(c1ccc(O)cc1)O2
InChIInChI=1S/C22H24O10/c1-29-15-6-12(30-22-21(28)20(27)19(26)17(9-23)32-22)7-16-18(15)13(25)8-14(31-16)10-2-4-11(24)5-3-10/h2-7,14,17,19-24,26-28H,8-9H2,1H3
InChIKeyYKLXLXHFKNDXOH-UHFFFAOYSA-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)
Puddumin A (CHEBI:168189) is a flavonoids (CHEBI:72544)
Puddumin A (CHEBI:168189) is a glycoside (CHEBI:24400)
IUPAC Name 
2-(4-hydroxyphenyl)-5-methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Manual XrefsDatabases
24846545ChemSpider
HMDB0033741HMDB
LMPK12140538LIPID MAPS