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(10bS,4aR)-noroxomaritidine

PropertiesImage
MNX_IDMNXM162596 Image of MNXM162596
referencechebi:133996
formulaC16H18NO3
global charge1
mol weight272.324
InChIKeyVEXDOCFQMVMPHJ-HZPDHXFCSA-O
InChIInChI=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-/m1/s1
SMILESCOC1=C(O)C=C2C[NH+]3CC[C@]4(C=CC(=O)C[C@@H]34)C2=C1
MNX internals
InChI (mnx)InChI=1/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/t15-,16-/m1/s1 Image of MNXM162596
SMILES (mnx)[CH3:1][O:20][C:14]1=[C:13]([OH:19])[CH:6]=[C:10]2[CH2:9][N:17]3[CH2:5][CH2:4][C@:16]4([CH:3]=[CH:2][C:11](=[O:18])[CH2:7][C@H:15]43)[C:12]2=[CH:8]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)8
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:133996
chebi:133996
VEXDOCFQMVMPHJ-HZPDHXFCSA-O 		(10bS,4aR)-noroxomaritidine
(4aR,10bS)-8-hydroxy-9-methoxy-3-oxo-4,4a,5,6-tetrahydro-3H-5,10b-ethanophenanthridin-5-ium
(4aR,10bS)-noroxomaritidine(1+)

kegg.compound:C21406
keggC:C21406
VEXDOCFQMVMPHJ-HZPDHXFCSA-N 		(4aR,10bS)-Noroxomaritidine

metacyc.compound:CPD-19435
metacycM:CPD-19435
seed.compound:cpd34915
seedM:cpd34915
VEXDOCFQMVMPHJ-HZPDHXFCSA-N
VEXDOCFQMVMPHJ-HZPDHXFCSA-O 		(4aR,10bS)-noroxomaritidine

CHEBI:136560
chebi:136560
VEXDOCFQMVMPHJ-HZPDHXFCSA-N 		(4aR,10bS)-noroxomaritidine
(4aR,10bS)-8-hydroxy-9-methoxy-4,4a-dihydro-3H,6H-5,10b-ethanophenanthridin-3-one

keggC:M_C21406
seedM:M_cpd34915 		secondary/obsolete/fantasy identifier