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CHEBI:169192 - (S)-Annocherine A

ChEBI IDCHEBI:169192
ChEBI Name(S)-Annocherine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H15NO4
Net Charge0
Average Mass297.310
Monoisotopic Mass297.10011
SMILESCOc1cc2ccnc(C(O)c3ccc(O)cc3)c2cc1O
InChIInChI=1S/C17H15NO4/c1-22-15-8-11-6-7-18-16(13(11)9-14(15)20)17(21)10-2-4-12(19)5-3-10/h2-9,17,19-21H,1H3
InChIKeyXWZBLZPLPZOXQV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
(S)-Annocherine A (CHEBI:169192) is a isoquinolines (CHEBI:24922)
IUPAC Name 
1-[hydroxy-(4-hydroxyphenyl)methyl]-6-methoxyisoquinolin-7-ol
Manual XrefsDatabases
HMDB0038723HMDB
20057386ChemSpider