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CHEBI:2748 - anthemis glycoside B

ChEBI IDCHEBI:2748
ChEBI Nameanthemis glycoside B
Stars
DefinitionAn anthemis glycoside that is found in the cyanogenic achenes of Anthemis altissima.
Last Modified11 February 2015
DownloadsMolfile
FormulaC34H41NO17
Net Charge0
Average Mass735.692
Monoisotopic Mass735.23745
SMILESN#C[C@@H](O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](OC(=O)/C=C/c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1
InChIInChI=1S/C34H41NO17/c35-12-19(17-4-2-1-3-5-17)50-34-31(45)28(42)25(39)22(52-34)15-47-32-29(43)26(40)21(14-46-32)49-23(37)11-8-16-6-9-18(10-7-16)48-33-30(44)27(41)24(38)20(13-36)51-33/h1-11,19-22,24-34,36,38-45H,13-15H2/b11-8+/t19-,20-,21-,22-,24-,25-,26+,27+,28+,29-,30-,31-,32+,33-,34-/m1/s1
InChIKeyHIRMPNNQGZEXOM-ZXSTXTMUSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
anthemis glycoside B (CHEBI:2748) has functional parent trans-cinnamic acid (CHEBI:35697)
anthemis glycoside B (CHEBI:2748) is a O-acyl carbohydrate (CHEBI:52782)
anthemis glycoside B (CHEBI:2748) is a anthemis glycoside (CHEBI:50021)
anthemis glycoside B (CHEBI:2748) is a disaccharide derivative (CHEBI:63353)
anthemis glycoside B (CHEBI:2748) is a nitrile (CHEBI:18379)
IUPAC Name 
(2S)-[6-O-(4-O-{(2E)-3-[4-(β-D-glucopyranosyloxy)phenyl]prop-2-enoyl}-β-D-xylopyranosyl)-β-D-glucopyranosyloxy](phenyl)acetonitrile
Synonym  Source
Anthemis glycoside BKEGG COMPOUND
Manual XrefsDatabases
C08327KEGG COMPOUND
C00001439KNApSAcK
Registry NumbersSources
CAS:89354-49-4KEGG COMPOUND
CAS:89354-49-4ChemIDplus