EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:182666 - [2-(Hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] benzoate

ChEBI IDCHEBI:182666
ChEBI Name[2-(Hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] benzoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H26O11
Net Charge0
Average Mass466.439
Monoisotopic Mass466.14751
SMILESO=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12)c1ccccc1
InChIInChI=1S/C22H26O11/c23-8-12-14(25)15(26)16(27)21(30-12)32-20-13-11(6-7-29-20)17(18-22(13,9-24)33-18)31-19(28)10-4-2-1-3-5-10/h1-7,11-18,20-21,23-27H,8-9H2
InChIKeyGOHHRVCULPSXEU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
[2-(Hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] benzoate (CHEBI:182666) is a glycoside (CHEBI:24400)
IUPAC Name 
[2-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] benzoate