CHEBI:2748 - anthemis glycoside B

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ChEBI Name anthemis glycoside B
ChEBI ID CHEBI:2748
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 C34H41NO17
Net Charge 0
Average Mass 735.68580
Monoisotopic Mass 735.23745
InChI InChI=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
InChIKey HIRMPNNQGZEXOM-ZXSTXTMUSA-N
SMILES OC[C@H]1O[C@@H](Oc2ccc(\C=C\C(=O)O[C@@H]3CO[C@@H](OC[C@H]4O[C@@H](O[C@H](C#N)c5ccccc5)[C@H](O)[C@@H](O)[C@@H]4O)[C@H](O)[C@H]3O)cc2)[C@H](O)[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 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 B KEGG COMPOUND
Manual Xrefs Databases
C00001439 KNApSAcK
C08327 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
89354-49-4 CAS Registry Number KEGG COMPOUND
89354-49-4 CAS Registry Number ChemIDplus
Last Modified
11 February 2015