CHEBI:91513 - (4aR,8aR,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline-14-one

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ChEBI Name (4aR,8aR,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline-14-one
ChEBI ID CHEBI:91513
Stars This entity has been manually annotated by a third party.
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Formula C21H22N2O2
Net Charge 0
Average Mass 334.412
Monoisotopic Mass 334.16813
InChI InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16?,17?,19-,20?,21+/m0/s1
InChIKey QMGVPVSNSZLJIA-OFYMUHMXSA-N
SMILES C1CN2CC3=CCOC4CC(=O)N5C6[C@H]4[C@H]3CC2[C@@]61C7=CC=CC=C75
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 (4aR,8aR,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline-14-one (CHEBI:91513) is a alkaloid (CHEBI:22315)
Manual Xref Database
LSM-1293 LINCS
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