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tripyrrole
MNXM88136 is deprecated and here replaced by MNXM1105102
!!! Alternative mappings exist !!!
| Properties | Image |
|---|
| MNX_ID | MNXM1105102 |
 |
| reference | metacycM:CPD-18929 |
| formula | C24H24N3O4 |
| global charge | -1 |
| mol weight | 418.473 |
| InChIKey | UGHFLNCLMPTZEQ-PZRYXVKFSA-M |
| InChI | InChI=1S/C24H25N3O4/c1-6-15-12(3)18(10-19-14(5)17(24(31)27-19)8-9-22(28)29)25-21(15)11-20-13(4)16(7-2)23(30)26-20/h6-7,10-11,25H,1-2,8-9H2,3-5H3,(H,26,30)(H,27,31)(H,28,29)/p-1/b19-10-,20-11- |
| SMILES | C=CC1=C(/C=C2\NC(=O)C(C=C)=C2C)NC(/C=C2\NC(=O)C(CCC(=O)[O-])=C2C)=C1C |
MNX internals
| InChI (mnx) | InChI=1/C24H25N3O4/c1-6-15-12(3)18(10-19-14(5)17(24(31)27-19)8-9-22(28)29)25-21(15)11-20-13(4)16(7-2)23(30)26-20/h6-7,10-11,25H,1-2,8-9H2,3-5H3,(H,26,30)(H,27,31)(H,28,29)/b19-10-,20-11- |
 |
| SMILES (mnx) | [CH2:1]=[CH:6][C:15]1=[C:21](/[CH:11]=[C:20]2/[C:13]([CH3:4])=[C:16]([CH:7]=[CH2:2])[C:23]([OH:30])=[N:26]2)[NH:25][C:18](/[CH:10]=[C:19]2/[C:14]([CH3:5])=[C:17]([CH2:8][CH2:9][C:22](=[O:28])[OH:29])[C:24]([OH:31])=[N:27]2)=[C:12]1[CH3:3] |
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| Parent-child relations graph |
| Occurences in reactions | #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 2 |
| in models (compartimentalized) |
0 |
|