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CHEBI:228918 - (-)-12beta-Hydroxylsophocarpine

ChEBI IDCHEBI:228918
ChEBI Name(-)-12beta-Hydroxylsophocarpine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22N2O2
Net Charge0
Average Mass262.353
Monoisotopic Mass262.16813
SMILES[H][C@]12CCCN3CCC[C@@]([H])([C@@]31[H])[C@@]1([H])[C@H](O)C=CC(=O)N1C2
InChIInChI=1S/C15H22N2O2/c18-12-5-6-13(19)17-9-10-3-1-7-16-8-2-4-11(14(10)16)15(12)17/h5-6,10-12,14-15,18H,1-4,7-9H2/t10-,11+,12-,14+,15+/m1/s1
InChIKeyRAGVUCIHXGJGEQ-MIBAYGRRSA-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)
(-)-12beta-Hydroxylsophocarpine (CHEBI:228918) is a alkaloid (CHEBI:22315)
IUPAC Name 
(1S,2S,3R,9R,17S)-3-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one
Manual XrefsDatabases
4476859ChemSpider