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CHEBI:2735 - Anisodamine

ChEBI IDCHEBI:2735
ChEBI NameAnisodamine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC17H23NO4
Net Charge0
Average Mass305.374
Monoisotopic Mass305.16271
SMILESCN1C2C[C@H](OC(=O)[C@@H](CO)c3ccccc3)CC1[C@@H](O)C2
InChIInChI=1S/C17H23NO4/c1-18-12-7-13(9-15(18)16(20)8-12)22-17(21)14(10-19)11-5-3-2-4-6-11/h2-6,12-16,19-20H,7-10H2,1H3/t12?,13-,14-,15?,16-/m0/s1
InChIKeyWTQYWNWRJNXDEG-ABSNHQIMSA-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)
Anisodamine (CHEBI:2735) is a monocarboxylic acid (CHEBI:25384)
Synonyms  Source
6-HydroxyhyoscyamineKEGG COMPOUND
AnisodamineKEGG COMPOUND
Manual XrefsDatabases
C00002274KNApSAcK
C10842KEGG COMPOUND
Registry NumbersSources
CAS:55869-99-3KEGG COMPOUND