CHEBI:3713 - Cinnamoylcocaine

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ChEBI Name Cinnamoylcocaine
ChEBI ID CHEBI:3713
Stars This entity has been manually annotated by a third party.
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Formula C19H23NO4
Net Charge 0
Average Mass 329.391
Monoisotopic Mass 329.16271
InChI InChI=1S/C19H23NO4/c1-20-14-9-10-15(20)18(19(22)23-2)16(12-14)24-17(21)11-8-13-6-4-3-5-7-13/h3-8,11,14-16,18H,9-10,12H2,1-2H3/b11-8+/t14?,15?,16-,18+/m0/s1
InChIKey MQIXMJWNEKUAOZ-OSINBPNZSA-N
SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)\C=C\c1ccccc1)N2C
ChEBI Ontology
Outgoing Cinnamoylcocaine (CHEBI:3713) is a cinnamate ester (CHEBI:36087)
Cinnamoylcocaine (CHEBI:3713) is conjugate base of cinnamoylcocaine(1+) (CHEBI:231952)
Incoming cinnamoylcocaine(1+) (CHEBI:231952) is conjugate acid of Cinnamoylcocaine (CHEBI:3713)
Synonym Source
Cinnamoylcocaine KEGG COMPOUND
Manual Xrefs Databases
C00002284 KNApSAcK
C10852 KEGG COMPOUND
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Registry Number Type Source
521-67-5 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014