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benzoyl-holothin
MNXM148962 is deprecated and replaced by MNXM1100681
| Properties | Image |
|---|
| MNX_ID | MNXM1100681 |
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| reference | metacycM:CPD-17960 |
| formula | C12H8N2O2S2 |
| global charge | 0 |
| mol weight | 276.342 |
| InChIKey | LFCZGONOEIKIEO-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H8N2O2S2/c15-11(7-4-2-1-3-5-7)14-9-10-8(6-17-18-10)13-12(9)16/h1-6H,(H,13,16)(H,14,15) |
| SMILES | O=C(NC1=C2SSC=C2NC1=O)C1=CC=CC=C1 |
MNX internals
| InChI (mnx) | InChI=1/C12H8N2O2S2/c15-11(7-4-2-1-3-5-7)14-9-10-8(6-17-18-10)13-12(9)16/h1-6H,(H,13,16)(H,14,15) |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:7]([C:11](=[N:14][C:9]2=[C:10]3[C:8](=[CH:6][S:17][S:18]3)[N:13]=[C:12]2[OH:16])[OH:15])[CH:5]=[CH:3]1 |
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| Parent-child relations graph |
| Occurences in reactions | #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 1 |
| in models (compartimentalized) |
0 |
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