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CHEBI:169298 - N-Acetylanonaine

ChEBI IDCHEBI:169298
ChEBI NameN-Acetylanonaine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H17NO3
Net Charge0
Average Mass307.349
Monoisotopic Mass307.12084
SMILES[H][C@@]12Cc3ccccc3-c3c4c(cc(c31)CCN2C(C)=O)OCO4
InChIInChI=1S/C19H17NO3/c1-11(21)20-7-6-13-9-16-19(23-10-22-16)18-14-5-3-2-4-12(14)8-15(20)17(13)18/h2-5,9,15H,6-8,10H2,1H3/t15-/m1/s1
InChIKeyXVIHBNVDAPQBRH-OAHLLOKOSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
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)
N-Acetylanonaine (CHEBI:169298) is a isoquinoline alkaloid (CHEBI:24921)
IUPAC Name 
1-[(12R)-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-11-yl]ethanone
Manual XrefsDatabases
4956090ChemSpider
Registry NumbersSources
CAS:5894-74-6ChemIDplus