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Asperlicin D
MNXM148951 is deprecated and replaced by MNXM1100556
| Properties | Image |
|---|
| MNX_ID | MNXM1100556 |
 |
| reference | chebi:222062 |
| formula | C25H18N4O2 |
| global charge | 0 |
| mol weight | 406.445 |
| InChIKey | TTYFXJZDLYVOTG-QFIPXVFZSA-N |
| InChI | InChI=1S/C25H18N4O2/c30-24-22(13-15-14-26-19-10-4-1-7-16(15)19)29-23(17-8-2-5-11-20(17)28-24)27-21-12-6-3-9-18(21)25(29)31/h1-12,14,22,26H,13H2,(H,28,30)/t22-/m0/s1 |
| SMILES | O=C1NC2=C(C=CC=C2)C2=NC3=C(C=CC=C3)C(=O)N2[C@H]1CC1=CNC2=C1C=CC=C2 |
MNX internals
| InChI (mnx) | InChI=1/C25H18N4O2/c30-24-22(13-15-14-26-19-10-4-1-7-16(15)19)29-23(17-8-2-5-11-20(17)28-24)27-21-12-6-3-9-18(21)25(29)31/h1-12,14,22,26H,13H2,(H,28,30)/t22-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:4][CH:10]=[C:19]2[C:16](=[CH:7]1)[C:15]([CH2:13][C@H:22]1[C:24]([OH:30])=[N:28][C:20]3=[CH:11][CH:5]=[CH:2][CH:8]=[C:17]3[C:23]3=[N:27][C:21]4=[CH:12][CH:6]=[CH:3][CH:9]=[C:18]4[C:25](=[O:31])[N:29]13)=[CH:14][NH:26]2 |
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| Parent-child relations graph |
| Occurences in reactions | #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 1 |
| in models (compartimentalized) |
0 |
|
Similar chemical compounds in external resources
| Identifier | Description |
|---|
CHEBI:222062
chebi:222062
TTYFXJZDLYVOTG-QFIPXVFZSA-N
| Asperlicin D
(7S)-7-(1H-indol-3-ylmethyl)-5,7-dihydroquinazolino[3,2-d][1,4]benzodiazepine-6,9-dione
|
seed.compound:cpd32816
seedM:cpd32816
TTYFXJZDLYVOTG-QFIPXVFZSA-N
| (7S)-7-(1H-Indol-3-ylmethyl)quinazolino[3,2-d][1,4]benzodiazepine-6,9(7H,14H)-dione
asperlicin D
|
metacyc.compound:CPD-17022
metacycM:CPD-17022
TTYFXJZDLYVOTG-QFIPXVFZSA-N
| asperlicin D
(7S)-7-(1H-Indol-3-ylmethyl)quinazolino[3,2-d][1,4]benzodiazepine-6,9(7H,14H)-dione
|
seedM:M_cpd32816
| secondary/obsolete/fantasy identifier
|