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asperlicin E

MNXM148952 is deprecated and here replaced by MNXM729210
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM729210 Image of MNXM729210
referencechebi:90903
formulaC25H18N4O3
global charge0
mol weight422.444
InChIKeyHYHLSEUXMRFVND-AMDXRBSFSA-N
InChIInChI=1S/C25H18N4O3/c30-22-14-7-1-4-10-17(14)26-21-20-13-25(32)16-9-3-5-11-18(16)27-24(25)29(20)23(31)15-8-2-6-12-19(15)28(21)22/h1-12,20,24,27,32H,13H2/t20-,24+,25-/m0/s1
SMILESO=C1C2=C(C=CC=C2)N=C2[C@@H]3C[C@]4(O)C5=CC=CC=C5N[C@@H]4N3C(=O)C3=C(C=CC=C3)N12
MNX internals
InChI (mnx)InChI=1/C25H18N4O3/c30-22-14-7-1-4-10-17(14)26-21-20-13-25(32)16-9-3-5-11-18(16)27-24(25)29(20)23(31)15-8-2-6-12-19(15)28(21)22/h1-12,20,24,27,32H,13H2/t20-,24+,25-/m0/s1 Image of MNXM729210
SMILES (mnx)[CH:1]1=[CH:4][CH:10]=[C:17]2[C:14](=[CH:7]1)[C:22](=[O:30])[N:28]1[C:19]3=[CH:12][CH:6]=[CH:2][CH:8]=[C:15]3[C:23](=[O:31])[N:29]3[C@@H:20]([CH2:13][C@:25]4([OH:32])[C:16]5=[CH:9][CH:3]=[CH:5][CH:11]=[C:18]5[NH:27][C@@H:24]43)[C:21]1=[N:26]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:90903
chebi:90903
HYHLSEUXMRFVND-AMDXRBSFSA-N 		asperlicin E
(+)-asperlicin E
(12aR,17bS,18aS)-17b-hydroxy-13,17b,18,18a-tetrahydro-11H-indolo[3',2':4,5]pyrrolo[2,1-c]quinazolino[3,2-a][1,4]benzodiazepine-5,11(12aH)-dione

kegg.compound:C21148
keggC:C21148
HYHLSEUXMRFVND-AMDXRBSFSA-N 		Asperlicin E

keggC:M_C21148 		secondary/obsolete/fantasy identifier