CHEBI:8423 - Proacacipetalin

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ChEBI Name Proacacipetalin
ChEBI ID CHEBI:8423
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C11H17NO6
Net Charge 0
Average Mass 259.256
Monoisotopic Mass 259.10559
InChI InChI=1S/C11H17NO6/c1-5(2)6(3-12)17-11-10(16)9(15)8(14)7(4-13)18-11/h6-11,13-16H,1,4H2,2H3/t6-,7-,8-,9+,10-,11-/m1/s1
InChIKey KVHIMSJVFJPBKJ-MPVQUNCYSA-N
SMILES CC(=C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C#N
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 Proacacipetalin (CHEBI:8423) is a cyanogenic glycoside (CHEBI:23436)
Synonym Source
Proacacipetalin KEGG COMPOUND
Manual Xrefs Databases
C00001452 KNApSAcK
C08338 KEGG COMPOUND
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Registry Number Type Source
66871-89-4 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014