EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:2785 - Apohyoscine

ChEBI IDCHEBI:2785
ChEBI NameApohyoscine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC17H19NO3
Net Charge0
Average Mass285.343
Monoisotopic Mass285.13649
SMILESC=C(C(=O)O[C@@H]1CC2[C@H]3O[C@H]3C(C1)N2C)c1ccccc1
InChIInChI=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+
InChIKeyJJNVDCBKBUSUII-UJIFDXPISA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Apohyoscine (CHEBI:2785) is a monocarboxylic acid (CHEBI:25384)
Synonyms  Source
1alphaH,5alphaH-Tropan-3alpha-ol, 6beta,7beta-epoxy-, atropate (ester)KEGG COMPOUND
ApohyoscineKEGG COMPOUND
Manual XrefsDatabases
C00002276KNApSAcK
C10844KEGG COMPOUND
Registry NumbersSources
CAS:535-26-2KEGG COMPOUND