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asperlicin C

MNXM148090 is deprecated and replaced by MNXM1100885
PropertiesImage
MNX_IDMNXM1100885 Image of MNXM1100885
referencechebi:90904
formulaC25H18N4O2
global charge0
mol weight406.445
InChIKeyBUTFEAMXSRJHIM-NRFANRHFSA-N
InChIInChI=1S/C25H18N4O2/c30-24-18-9-3-6-12-22(18)29-23(27-20-11-5-2-8-17(20)25(29)31)21(28-24)13-15-14-26-19-10-4-1-7-16(15)19/h1-12,14,21,26H,13H2,(H,28,30)/t21-/m0/s1
SMILESO=C1N[C@@H](CC2=CNC3=CC=CC=C23)C2=NC3=CC=CC=C3C(=O)N2C2=CC=CC=C12
MNX internals
InChI (mnx)InChI=1/C25H18N4O2/c30-24-18-9-3-6-12-22(18)29-23(27-20-11-5-2-8-17(20)25(29)31)21(28-24)13-15-14-26-19-10-4-1-7-16(15)19/h1-12,14,21,26H,13H2,(H,28,30)/t21-/m0/s1 Image of MNXM1100885
SMILES (mnx)[CH:1]1=[CH:4][CH:10]=[C:19]2[C:16](=[CH:7]1)[C:15]([CH2:13][C@H:21]1[C:23]3=[N:27][C:20]4=[CH:11][CH:5]=[CH:2][CH:8]=[C:17]4[C:25](=[O:31])[N:29]3[C:22]3=[CH:12][CH:6]=[CH:3][CH:9]=[C:18]3[C:24]([OH:30])=[N:28]1)=[CH:14][NH:26]2
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:90904
chebi:90904
BUTFEAMXSRJHIM-NRFANRHFSA-N 		asperlicin C
(-)-asperlicin C
(7S)-7-(1H-indol-3-ylmethyl)-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione

seed.compound:cpd35482
seedM:cpd35482
BUTFEAMXSRJHIM-NRFANRHFSA-N 		(7S)-7-(1H-Indol-3-ylmethyl)-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione
asperlicin C

kegg.compound:C21147
keggC:C21147
BUTFEAMXSRJHIM-NRFANRHFSA-N 		Asperlicin C

metacyc.compound:CPD-17021
metacycM:CPD-17021
BUTFEAMXSRJHIM-NRFANRHFSA-N 		asperlicin C
(7S)-7-(1H-Indol-3-ylmethyl)-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione

keggC:M_C21147
seedM:M_cpd35482 		secondary/obsolete/fantasy identifier