EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:191465 - Caryatin glucoside

ChEBI IDCHEBI:191465
ChEBI NameCaryatin glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H26O12
Net Charge0
Average Mass506.460
Monoisotopic Mass506.14243
SMILESCOc1c(-c2ccc(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)oc2cc(O)cc(OC)c2c1=O
InChIInChI=1S/C24H26O12/c1-32-14-6-12(26)7-15-17(14)19(29)23(33-2)22(35-15)10-3-4-11(13(27)5-10)9-34-24-21(31)20(30)18(28)16(8-25)36-24/h3-7,16,18,20-21,24-28,30-31H,8-9H2,1-2H3/t16-,18-,20+,21-,24-/m1/s1
InChIKeyGXSXKFFHCFHOBJ-FKYCOBHJSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Caryatin glucoside (CHEBI:191465) is a ether (CHEBI:25698)
Caryatin glucoside (CHEBI:191465) is a flavonoids (CHEBI:72544)
IUPAC Name 
7-hydroxy-2-[3-hydroxy-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]phenyl]-3,5-dimethoxychromen-4-one
Manual XrefsDatabases
30777185ChemSpider
HMDB0037352HMDB