CHEBI:228910 - Sophocarpine

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Sophocarpine
ChEBI ID CHEBI:228910
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C15H22N2O
Net Charge 0
Average Mass 246.354
Monoisotopic Mass 246.17321
InChI InChI=1S/C15H22N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h1,7,11-13,15H,2-6,8-10H2/t11-,12+,13+,15-/m0/s1
InChIKey AAGFPTSOPGCENQ-JLNYLFASSA-N
SMILES O=C1N2[C@@]([C@@]3([C@]4(N(CCC3)CCC[C@]4(C2)[H])[H])[H])(CC=C1)[H]
Metabolite of Species Details
Zea mays (NCBI:txid4577) Found in exometabolome See: MetaboLights Study
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
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ChEBI Ontology
Outgoing Sophocarpine (CHEBI:228910) is a alkaloid (CHEBI:22315)
IUPAC Name
(1R,2R,9S,17S)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one
Manual Xref Database
103136 ChemSpider
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