CHEBI:5578 - Gynocardin

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ChEBI Name Gynocardin
ChEBI ID CHEBI:5578
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C12H17NO8
Net Charge 0
Average Mass 303.266
Monoisotopic Mass 303.09542
InChI InChI=1S/C12H17NO8/c13-4-12(2-1-5(15)10(12)19)21-11-9(18)8(17)7(16)6(3-14)20-11/h1-2,5-11,14-19H,3H2/t5-,6+,7+,8-,9+,10+,11-,12+/m0/s1
InChIKey HASDUOHKNMHNJA-GDLVSTOPSA-N
SMILES OC[C@H]1O[C@@H](O[C@]2(C=C[C@H](O)[C@H]2O)C#N)[C@H](O)[C@@H](O)[C@@H]1O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via cyanogenic glycoside )
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ChEBI Ontology
Outgoing Gynocardin (CHEBI:5578) is a cyanogenic glycoside (CHEBI:23436)
Synonyms Sources
2-Cyclopentene-1-carbonitrile, 1-(beta-D-glucopyranosyloxy)-4,5-dihydroxy-,(1alpha,4alpha,5beta)- KEGG COMPOUND
Gynocardin KEGG COMPOUND
Manual Xrefs Databases
C00001444 KNApSAcK
C08331 KEGG COMPOUND
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Registry Number Type Source
14332-17-3 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014