EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:197026 - 2-Feruloyl-1-sinapoylgentiobiose

ChEBI IDCHEBI:197026
ChEBI Name2-Feruloyl-1-sinapoylgentiobiose
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H40O18
Net Charge0
Average Mass724.665
Monoisotopic Mass724.22146
SMILESCOc1cc(/C=C/C(=O)OC2C(OC(=O)/C=C/c3cc(OC)c(O)c(OC)c3)OC(COC3OC(CO)C(O)C(O)C3O)C(O)C2O)ccc1O
InChIInChI=1S/C33H40O18/c1-44-18-10-15(4-7-17(18)35)5-8-23(36)50-31-29(42)27(40)22(14-47-32-30(43)28(41)26(39)21(13-34)48-32)49-33(31)51-24(37)9-6-16-11-19(45-2)25(38)20(12-16)46-3/h4-12,21-22,26-35,38-43H,13-14H2,1-3H3/b8-5+,9-6+
InChIKeyQYKVHEQRAXPEEL-XVYDYJIPSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
2-Feruloyl-1-sinapoylgentiobiose (CHEBI:197026) has functional parent hydroxycinnamic acid (CHEBI:24689)
2-Feruloyl-1-sinapoylgentiobiose (CHEBI:197026) is a glycoside (CHEBI:24400)
IUPAC Name 
[4,5-dihydroxy-2-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Manual XrefsDatabases
HMDB0030334HMDB