| Properties | Image |
|---|
| MNX_ID | MNXM730464 |
 |
| reference | chebi:90857 |
| formula | C35H32MgN4O5 |
| global charge | -2 |
| mol weight | 612.969 |
| InChIKey | XXROLDCQESZWTF-IEFPKRBPSA-K |
| InChI | InChI=1S/C35H35N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8-9,12-14,16-17,21H,1,10-11H2,2-7H3,(H3,36,37,38,39,40,41,42);/q-1;+2/p-3/b20-9-;/t16-,17+,21+;/m1./s1 |
| SMILES | C=CC1=C(C)C2=CC3=[N+]4C(=C5C6=C(C(=O)[C-]5C(=O)OC)C(C)=C5C=C7/C(=C\C)[C@@H](C)C8=[N+]7[Mg-2]4(N2C1=C8)N56)[C@@H](CCC(=O)[O-])[C@@H]3C |
MNX internals
| InChI (mnx) | InChI=1/C35H35N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8-9,12-14,16-17,21H,1,10-11H2,2-7H3,(H3,36,37,38,39,40,41,42);/q-1;+2/b20-9-;/t16-,17+,21+;/m1./s1 |
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| SMILES (mnx) | [CH2:1]=[CH:8][C:19]1=[C:15]([CH3:3])[C:22]2=[CH:12][C:24]3=[N:38][C:32](=[C:30]4[C-:31]([C:35](=[O:43])[O:44][CH3:7])[C:34]([OH:42])=[C:29]5[C:18]([CH3:6])=[C:25](/[CH:14]=[C:27]6[C:20](=[CH:9]\[CH3:2])/[C@@H:16]([CH3:4])[C:23](=[CH:13][C:26]1=[NH+:36]2)[N-:37]/6)[N:39]=[C:33]54)[C@@H:21]([CH2:10][CH2:11][C:28](=[O:40])[OH:41])[C@@H:17]3[CH3:5].[Mg+2:45] |
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