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Cinchonidinone

PropertiesImage
MNX_IDMNXM5671 Image of MNXM5671
referencechebi:80767
formulaC19H20N2O
global charge0
mol weight292.382
InChIKeyAEFOLTVWSRMXMW-VNSJNIRKSA-N
InChIInChI=1S/C19H20N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18H,1,8,10-12H2/t13-,14?,18?/m0/s1
SMILESC=C[C@H]1CN2CCC1C[C@@H]2C(=O)C1=CC=NC2=CC=CC=C21
MNX internals
InChI (mnx)InChI=1/C19H20N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18H,1,8,10-12H2/t13-,14?,18?/m0/s1 Image of MNXM5671
SMILES (mnx)[CH2:1]=[CH:2][C@H:13]1[CH2:12][N:21]2[CH2:10][CH2:8][CH:14]1[CH2:11][CH:18]2[C:19]([C:16]1=[CH:7][CH:9]=[N:20][C:17]2=[CH:6][CH:4]=[CH:3][CH:5]=[C:15]12)=[O:22]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:80767
chebi:80767
kegg.compound:C16846
keggC:C16846
AEFOLTVWSRMXMW-VNSJNIRKSA-N
Cinchonidinone
(8alpha)-Cinchonan-9-one

seed.compound:cpd17156
seedM:cpd17156
AEFOLTVWSRMXMW-VNSJNIRKSA-N
Cinchonidinone
(8alpha)-Cinchonan-9-one
cinchonidinone

metacyc.compound:CPD-9833
metacycM:CPD-9833
AEFOLTVWSRMXMW-VNSJNIRKSA-N
cinchonidinone
(8alpha)-Cinchonan-9-one

keggC:M_C16846
seedM:M_cpd17156
secondary/obsolete/fantasy identifier