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(10bR,4aS)-noroxomaritidine

Properties

Image

Occurences in reactions

MNX_ID

MNXM162595

	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	0

formula

C₁₆H₁₈NO₃

charge

mass

272.12812

reference

InChIKey

VEXDOCFQMVMPHJ-HOTGVXAUSA-O

InChI

InChI=1S/C16H17NO3/c1-20-14-8-12-10(6-13(14)19)9-17-5-4-16(12)3-2-11(18)7-15(16)17/h2-3,6,8,15,19H,4-5,7,9H2,1H3/p+1/t15-,16-/m0/s1

SMILES

COc1cc2c(cc1O)C[NH+]1CC[C@@]23C=CC(=O)C[C@H]13

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:133995 chebi:133995	(10bR,4aS)-noroxomaritidine (4aS,10bR)-8-hydroxy-9-methoxy-3-oxo-4,4a,5,6-tetrahydro-3H-5,10b-ethanophenanthridin-5-ium (4aS,10bR)-noroxomaritidine(1+)
kegg.compound:C21405 keggC:C21405	(4aS,10bR)-Noroxomaritidine
metacyc.compound:CPD-19434 metacycM:CPD-19434 seed.compound:cpd32947 seedM:cpd32947	(4aS,10bR)-noroxomaritidine
CHEBI:136557 chebi:136557	(4aS,10bR)-noroxomaritidine (4aS,10bR)-8-hydroxy-9-methoxy-4,4a-dihydro-3H,6H-5,10b-ethanophenanthridin-3-one
keggC:M_C21405 seedM:M_cpd32947	secondary/obsolete/fantasy identifier