CHEBI:181918 - Methyl (1S,10R,12R,19S)-12-ethyl-10-hydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate

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ChEBI Name Methyl (1S,10R,12R,19S)-12-ethyl-10-hydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate
ChEBI ID CHEBI:181918
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H28N2O4
Net Charge 0
Average Mass 384.476
Monoisotopic Mass 384.20491
InChI InChI=1S/C22H28N2O4/c1-4-20-8-5-10-24-11-9-21(18(20)24)15-7-6-14(27-2)12-16(15)23-17(21)22(26,13-20)19(25)28-3/h5-8,12,17-18,23,26H,4,9-11,13H2,1-3H3/t17?,18-,20-,21-,22+/m0/s1
InChIKey MLIQIRKAHMVCDD-KGZGCZEESA-N
SMILES O[C@]1(C2NC3=C([C@@]42[C@]5(N(CC4)CC=C[C@]5(C1)CC)[H])C=CC(OC)=C3)C(OC)=O
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 Methyl (1S,10R,12R,19S)-12-ethyl-10-hydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate (CHEBI:181918) is a alkaloid (CHEBI:22315)
IUPAC Name
methyl (1S,10R,12R,19S)-12-ethyl-10-hydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate
Manual Xref Database
C04578 KEGG COMPOUND
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