EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:196635 - Isookaninrhamnoside

ChEBI IDCHEBI:196635
ChEBI NameIsookaninrhamnoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O10
Net Charge0
Average Mass434.397
Monoisotopic Mass434.12130
SMILESCC1O[C@@H](Oc2ccc3c(c2O)OC(c2ccc(O)c(O)c2)CC3=O)C(O)[C@@H](O)[C@H]1O
InChIInChI=1S/C21H22O10/c1-8-16(25)18(27)19(28)21(29-8)31-14-5-3-10-12(23)7-15(30-20(10)17(14)26)9-2-4-11(22)13(24)6-9/h2-6,8,15-16,18-19,21-22,24-28H,7H2,1H3/t8?,15?,16-,18-,19?,21-/m0/s1
InChIKeyOKMZUJIPFVMESH-RTZSNBNNSA-N
ChEBI Ontology
Outgoing Relation(s)
Isookaninrhamnoside (CHEBI:196635) is a flavonoids (CHEBI:72544)
Isookaninrhamnoside (CHEBI:196635) is a glycoside (CHEBI:24400)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-8-hydroxy-7-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one
Manual XrefsDatabases
24846264ChemSpider
LMPK12140093LIPID MAPS