| Properties | Image |
|---|
| MNX_ID | MNXM1100717 |
 |
| reference | seedM:cpd34001 |
| formula | C35H35MgN4O6 |
| global charge | -1 |
| mol weight | 631.992 |
| InChIKey | ZPRLIMSKLFOUFQ-RMEZYYCDSA-K |
| InChI | InChI=1S/C35H38N4O6.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;/h8,11-15,18,20,31,40H,9-10H2,1-7H3,(H3,38,39,41,42,43);/q-2;+4/p-3/b19-8+,21-13-,22-11-,25-12-;/t14-,15+,18?,20+,31-;/m1./s1 |
| SMILES | C/C=C1/C2=CC3=C(C)C4=C5C(=C6[C@@H](CCC(=O)[O-])[C@H](C)C7=CC8=C(C)C(C(C)O)=C9C=C([C@@H]1C)N2[Mg](N89)(N35)N76)[C@@H](C(=O)OC)C4=O |
MNX internals
| InChI (mnx) | InChI=1/C35H38N4O6.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;/h8,11-15,18,20,31,40H,9-10H2,1-7H3,(H3,38,39,41,42,43);/q-2;+4/b19-8+,21-13-,22-11-,25-12-;/t14-,15+,18?,20+,31-;/m1./s1 |
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| SMILES (mnx) | [CH3:1]/[CH:8]=[C:19]1[C@@H:14]([CH3:2])/[C:21]2=[CH:13]/[C:26]3=[C:28]([CH:18]([CH3:6])[OH:40])[C:16]([CH3:4])=[C:23](/[CH:11]=[C:22]4/[C@@H:15]([CH3:3])[C@H:20]([CH2:9][CH2:10][C:27](=[O:41])[OH:42])[C:32](=[C:30]5[C@@H:31]([C:35](=[O:44])[O:45][CH3:7])[C:34](=[O:43])[C:29]6=[C:33]5[NH2+:39][C:24](=[C:17]6[CH3:5])\[CH:12]=[C:25]\1[N-:36]2)[N-:38]4)[N-:37]3.[Mg+4:46] |
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