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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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circumdatin H
Properties
Image
Occurences in reactions
MNX_ID
MNXM103854
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
20
H
17
N
3
O
3
charge
0
mass
347.12699
reference
chebi:65634
InChIKey
MLEAYJRUKNTODR-KRWDZBQOSA-N
InChI
InChI=1S/C20H17N3O3/c1-26-12-8-9-15-14(11-12)20(25)23-16-6-3-2-5-13(16)19(24)22-10-4-7-17(22)18(23)21-15/h2-3,5-6,8-9,11,17H,4,7,10H2,1H3/t17-/m0/s1
SMILES
COc1ccc2nc3n(c(=O)c2c1)-c1ccccc1C(=O)N1CCC[C@@H]31
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
CHEBI:65634
chebi:65634
circumdatin H
(5bS)-2-methoxy-5b,6,7,8-tetrahydro-10H,16H-pyrrolo[2,1-c]quinazolino[3,2-a][1,4]benzodiazepine-10,16-dione
(S)-(-)-circumdatin H