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CHEBI:229137 - Hernandoline

ChEBI IDCHEBI:229137
ChEBI NameHernandoline
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H25NO5
Net Charge0
Average Mass359.422
Monoisotopic Mass359.17327
SMILESCOC1=C(OC)[C@]23CCc4ccc(OC)c(O)c4[C@]2(CCN3C)CC1=O
InChIInChI=1S/C20H25NO5/c1-21-10-9-19-11-13(22)17(25-3)18(26-4)20(19,21)8-7-12-5-6-14(24-2)16(23)15(12)19/h5-6,23H,7-11H2,1-4H3/t19-,20+/m0/s1
InChIKeyXLWYWPDYNLZUJS-VQTJNVASSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
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)
Hernandoline (CHEBI:229137) is a isoquinoline alkaloid (CHEBI:24921)
IUPAC Name 
(1S,10S)-3-hydroxy-4,11,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-13-one
Manual XrefsDatabases
140631ChemSpider