CHEBI:2747 - anthemis glycoside A

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ChEBI Name anthemis glycoside A
ChEBI ID CHEBI:2747
Definition An anthemis glycoside that is found in the cyanogenic achenes of Anthemis altissima.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C39H49NO21
Net Charge 0
Average Mass 867.80050
Monoisotopic Mass 867.27971
InChI InChI=1S/C39H49NO21/c40-12-21(18-4-2-1-3-5-18)59-39-35(52)31(48)28(45)24(61-39)16-56-37-33(50)29(46)22(14-54-37)58-25(42)11-8-17-6-9-19(10-7-17)57-38-34(51)30(47)27(44)23(60-38)15-55-36-32(49)26(43)20(41)13-53-36/h1-11,20-24,26-39,41,43-52H,13-16H2/b11-8+/t20-,21-,22-,23-,24-,26+,27-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37+,38-,39-/m1/s1
InChIKey GVPIOFYEBVTHHT-WAUBIPOJSA-N
SMILES O[C@@H]1CO[C@@H](OC[C@H]2O[C@@H](Oc3ccc(\C=C\C(=O)O[C@@H]4CO[C@@H](OC[C@H]5O[C@@H](O[C@H](C#N)c6ccccc6)[C@H](O)[C@@H](O)[C@@H]5O)[C@H](O)[C@H]4O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via anthemis glycoside )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing anthemis glycoside A (CHEBI:2747) has functional parent trans-cinnamic acid (CHEBI:35697)
anthemis glycoside A (CHEBI:2747) is a O-acyl carbohydrate (CHEBI:52782)
anthemis glycoside A (CHEBI:2747) is a anthemis glycoside (CHEBI:50021)
anthemis glycoside A (CHEBI:2747) is a disaccharide derivative (CHEBI:63353)
anthemis glycoside A (CHEBI:2747) is a nitrile (CHEBI:18379)
IUPAC Name
(2S)-phenyl[6-O-(4-O-{(2E)-3-[4-(6-O-β-D-xylopyranosyl-β-D-glucopyranosyloxy)phenyl]prop-2-enoyl}-β-D-xylopyranosyl)-β-D-glucopyranosyloxy]acetonitrile
Synonyms Sources
Anthemis glycoside A KEGG COMPOUND
Epilucumin 4''-p-(beta-D-glucopyranosyloxy)-(E)-cinnamate ChemIDplus
Manual Xrefs Databases
C00001438 KNApSAcK
C08326 KEGG COMPOUND
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Registry Number Type Source
89354-48-3 CAS Registry Number KEGG COMPOUND
Last Modified
11 February 2015