CHEBI:3194 - Brugine

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ChEBI Name Brugine
ChEBI ID CHEBI:3194
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C12H19NO2S2
Net Charge 0
Average Mass 273.417
Monoisotopic Mass 273.08572
InChI InChI=1S/C12H19NO2S2/c1-13-8-2-3-9(13)7-10(6-8)15-12(14)11-4-5-16-17-11/h8-11H,2-7H2,1H3/t8?,9?,10?,11-/m0/s1
InChIKey BOJOZZSCQUTEBY-QUBJWBRDSA-N
SMILES CN1C2CCC1C[C@H](C2)OC(=O)[C@@H]1CCSS1
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 alkaloid )
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ChEBI Ontology
Outgoing Brugine (CHEBI:3194) is a tropane alkaloid (CHEBI:37332)
Synonym Source
Brugine KEGG COMPOUND
Manual Xrefs Databases
C00002281 KNApSAcK
C10849 KEGG COMPOUND
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Registry Number Type Source
14912-30-2 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014