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CHEBI:4838 - Erysotrine

ChEBI IDCHEBI:4838
ChEBI NameErysotrine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC19H23NO3
Net Charge0
Average Mass313.397
Monoisotopic Mass313.16779
SMILESCOc1cc2c(cc1OC)[C@]13C[C@@H](OC)C=CC1=CCN3CC2
InChIInChI=1S/C19H23NO3/c1-21-15-5-4-14-7-9-20-8-6-13-10-17(22-2)18(23-3)11-16(13)19(14,20)12-15/h4-5,7,10-11,15H,6,8-9,12H2,1-3H3/t15-,19-/m0/s1
InChIKeyWXVSPYOOFCCEII-KXBFYZLASA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Erysotrine (CHEBI:4838) is a alkaloid (CHEBI:22315)
Synonym  Source
ErysotrineKEGG COMPOUND
Manual XrefsDatabases
C00001851KNApSAcK
C00027353KNApSAcK
C09423KEGG COMPOUND
HMDB0030259HMDB
Registry NumbersSources
CAS:27740-43-8KEGG COMPOUND