| Properties | Image |
|---|
| MNX_ID | MNXM726546 |
 |
| reference | chebi:81547 |
| formula | C35H34MgN4O6 |
| global charge | 0 |
| mol weight | 630.984 |
| InChIKey | PHSJREAVLQHRMS-QKPRITNQSA-L |
| InChI | InChI=1S/C35H36N4O6.Mg/c1-8-19-14(2)21-13-26-28(18(6)40)16(4)23(37-26)11-22-15(3)20(9-10-27(41)42)32(38-22)30-31(35(44)45-7)34(43)29-17(5)24(39-33(29)30)12-25(19)36-21;/h8,11-15,20,31H,9-10H2,1-7H3,(H3,36,37,38,39,40,41,42,43);/q;+2/p-2/b19-8-;/t14?,15-,20-,31+;/m0./s1 |
| SMILES | C/C=C1\C2=N/C(=C\C3=C(C(C)=O)C(C)=C4/C=C5\N=C(C6=C7C(=C(C)/C(=C/2)N7[Mg]N43)C(=O)[C@@H]6C(=O)OC)[C@@H](CCC(=O)O)[C@@H]5C)C1C |
MNX internals
| InChI (mnx) | InChI=1/C35H36N4O6.Mg/c1-8-19-14(2)21-13-26-28(18(6)40)16(4)23(37-26)11-22-15(3)20(9-10-27(41)42)32(38-22)30-31(35(44)45-7)34(43)29-17(5)24(39-33(29)30)12-25(19)36-21;/h8,11-15,20,31H,9-10H2,1-7H3,(H3,36,37,38,39,40,41,42,43);/q;+2/b19-8-;/t14?,15-,20-,31+;/m0./s1 |
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| SMILES (mnx) | [CH3:1]/[CH:8]=[C:19]1/[CH:14]([CH3:2])[C:21]2=[CH:13][C:26]3=[N:37][C:23](=[C:16]([CH3:4])[C:28]3=[C:18]([CH3:6])[OH:40])[CH:11]=[C:22]3[C@@H:15]([CH3:3])[C@H:20]([CH2:9][CH2:10][C:27](=[O:41])[OH:42])[C:32](=[C:30]4[C@@H:31]([C:35](=[O:44])[O:45][CH3:7])[C:34](=[O:43])[C:29]5=[C:17]([CH3:5])[C:24](=[CH:12][C:25]1=[NH+:36]2)[N:39]=[C:33]54)[N-:38]3.[Mg+2:46] |
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