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CHEBI:1446 - 3-Acetylnerbowdine

ChEBI IDCHEBI:1446
ChEBI Name3-Acetylnerbowdine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC19H23NO6
Net Charge0
Average Mass361.394
Monoisotopic Mass361.15254
SMILES[H][C@@]12C[C@@H](OC(C)=O)C[C@@H](O)[C@]13CC[N@@]2Cc1c3cc2c(c1OC)OCO2
InChIInChI=1S/C19H23NO6/c1-10(21)26-11-5-15-19(16(22)6-11)3-4-20(15)8-12-13(19)7-14-18(17(12)23-2)25-9-24-14/h7,11,15-16,22H,3-6,8-9H2,1-2H3/t11-,15-,16-,19+/m1/s1
InChIKeyBSVABPABKQCTBP-GZJVQYRHSA-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)
3-Acetylnerbowdine (CHEBI:1446) is a alkaloid (CHEBI:22315)
Synonym  Source
3-AcetylnerbowdineKEGG COMPOUND
Manual XrefsDatabases
C00001558KNApSAcK
C08514KEGG COMPOUND
Registry NumbersSources
CAS:100196-22-3KEGG COMPOUND