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CHEBI:189039 - 1-O-Cinnamoyl-beta-D-gentiobiose

ChEBI IDCHEBI:189039
ChEBI Name1-O-Cinnamoyl-beta-D-gentiobiose
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28O12
Net Charge0
Average Mass472.443
Monoisotopic Mass472.15808
SMILESO=C(/C=C/c1ccccc1)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O
InChIInChI=1S/C21H28O12/c22-8-11-14(24)16(26)18(28)20(31-11)30-9-12-15(25)17(27)19(29)21(32-12)33-13(23)7-6-10-4-2-1-3-5-10/h1-7,11-12,14-22,24-29H,8-9H2/b7-6+
InChIKeyVFNCMPJNJCOCMS-VOTSOKGWSA-N
Species of MetaboliteComponentSourceComments
Anopheles sinensis (ncbitaxon:74873) Whole Organism (NCIT:C13413) Article
ChEBI Ontology
Outgoing Relation(s)
1-O-Cinnamoyl-beta-D-gentiobiose (CHEBI:189039) is a glycoside (CHEBI:24400)
IUPAC Name 
[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (E)-3-phenylprop-2-enoate
Manual XrefsDatabases
HMDB0030295HMDB