CHEBI:221611 - Ergometrinine

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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 Ergometrinine
ChEBI ID CHEBI:221611
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C19H23N3O2
Net Charge 0
Average Mass 325.412
Monoisotopic Mass 325.17903
InChI InChI=1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24)/t11-,13-,17+/m0/s1
InChIKey WVVSZNPYNCNODU-PLQHRBFRSA-N
SMILES O=C(N[C@H](CO)C)[C@H]1C=C2C3=C4C(NC=C4C[C@H]2N(C1)C)=CC=C3
Metabolite of Species Details
Claviceps purpurea (NCBI:txid5111) See: PubMed
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 Ergometrinine (CHEBI:221611) is a ergoline alkaloid (CHEBI:60529)
IUPAC Name
(6aR,9S)-N-[(2S)-1-hydroxypropan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-g]quinoline-9-carboxamide
Manual Xref Database
4588887 ChemSpider
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