EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:169483 - Neobignonoside

ChEBI IDCHEBI:169483
ChEBI NameNeobignonoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H24O13
Net Charge0
Average Mass568.487
Monoisotopic Mass568.12169
SMILESO=C(OCC1OC(Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)C(O)C(O)C1O)c1ccc(O)cc1
InChIInChI=1S/C28H24O13/c29-14-4-1-12(2-5-14)27(37)38-11-22-24(34)25(35)26(36)28(41-22)39-15-8-18(32)23-19(33)10-20(40-21(23)9-15)13-3-6-16(30)17(31)7-13/h1-10,22,24-26,28-32,34-36H,11H2
InChIKeyYGPSUFGQACOQSG-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)
Neobignonoside (CHEBI:169483) is a flavonoids (CHEBI:72544)
Neobignonoside (CHEBI:169483) is a glycoside (CHEBI:24400)
IUPAC Name 
[6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxybenzoate
Manual XrefsDatabases
HMDB0033006HMDB