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ochrindole D
MNXM148385 is deprecated and replaced by MNXM1100658
| Properties | Image |
|---|
| MNX_ID | MNXM1100658 |
 |
| reference | metacycM:CPD-16849 |
| formula | C27H22N2O3 |
| global charge | 0 |
| mol weight | 422.484 |
| InChIKey | JZRJQJYIPSFKHJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C27H22N2O3/c1-15(2)11-12-18-23(19-13-28-21-9-5-3-7-16(19)21)26(31)27(32)24(25(18)30)20-14-29-22-10-6-4-8-17(20)22/h3-11,13-14,28-29,32H,12H2,1-2H3 |
| SMILES | CC(C)=CCC1=C(C2=CNC3=CC=CC=C32)C(=O)C(O)=C(C2=CNC3=CC=CC=C32)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C27H22N2O3/c1-15(2)11-12-18-23(19-13-28-21-9-5-3-7-16(19)21)26(31)27(32)24(25(18)30)20-14-29-22-10-6-4-8-17(20)22/h3-11,13-14,28-29,32H,12H2,1-2H3 |
 |
| SMILES (mnx) | [CH3:1][C:15]([CH3:2])=[CH:11][CH2:12][C:18]1=[C:23]([C:19]2=[CH:13][NH:28][C:21]3=[CH:9][CH:5]=[CH:3][CH:7]=[C:16]23)[C:26](=[O:31])[C:27]([OH:32])=[C:24]([C:20]2=[CH:14][NH:29][C:22]3=[CH:10][CH:6]=[CH:4][CH:8]=[C:17]23)[C:25]1=[O:30] |
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| Parent-child relations graph |
| Occurences in reactions | #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 3 |
| in models (compartimentalized) |
0 |
|