CHEBI:2785 - Apohyoscine

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ChEBI Name Apohyoscine
ChEBI ID CHEBI:2785
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C17H19NO3
Net Charge 0
Average Mass 285.338
Monoisotopic Mass 285.13649
InChI InChI=1S/C17H19NO3/c1-10(11-6-4-3-5-7-11)17(19)20-12-8-13-15-16(21-15)14(9-12)18(13)2/h3-7,12-16H,1,8-9H2,2H3/t12-,13?,14?,15-,16+
InChIKey JJNVDCBKBUSUII-UJIFDXPISA-N
SMILES CN1C2C[C@H](CC1[C@@H]1O[C@H]21)OC(=O)C(=C)c1ccccc1
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing Apohyoscine (CHEBI:2785) is a monocarboxylic acid (CHEBI:25384)
Synonyms Sources
1alphaH,5alphaH-Tropan-3alpha-ol, 6beta,7beta-epoxy-, atropate (ester) KEGG COMPOUND
Apohyoscine KEGG COMPOUND
Manual Xrefs Databases
C00002276 KNApSAcK
C10844 KEGG COMPOUND
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Registry Number Type Source
535-26-2 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014