| Properties | Image |
|---|
| MNX_ID | MNXM163109 |
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| reference | keggC:C21433 |
| formula | C35H38MgN4O4 |
| global charge | 0 |
| mol weight | 603.018 |
| InChIKey | NSOSKWVVTZUIQV-NTEXVCEMSA-L |
| InChI | InChI=1S/C35H40N4O4.Mg/c1-7-9-21-16(3)24-14-29-32(19(6)40)18(5)26(37-29)13-25-17(4)22(10-11-31(42)43)34(38-25)23-12-30(41)33-20(8-2)27(39-35(23)33)15-28(21)36-24;/h13-15,17,19,22,40H,7-12H2,1-6H3,(H3,36,37,38,39,41,42,43);/q;+2/p-2/t17-,19?,22-;/m0./s1 |
| SMILES | CCCC1=C(C)/C2=C/C3=C(C(C)O)C(C)=C4/C=C5\N=C(C6=C7C(=C(CC)/C(=C/C1=N2)N7[Mg]N43)C(=O)C6)[C@@H](CCC(=O)O)[C@@H]5C |
MNX internals
| InChI (mnx) | InChI=1/C35H40N4O4.Mg/c1-7-9-21-16(3)24-14-29-32(19(6)40)18(5)26(37-29)13-25-17(4)22(10-11-31(42)43)34(38-25)23-12-30(41)33-20(8-2)27(39-35(23)33)15-28(21)36-24;/h13-15,17,19,22,40H,7-12H2,1-6H3,(H3,36,37,38,39,41,42,43);/q;+2/t17-,19?,22-;/m0./s1 |
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| SMILES (mnx) | [CH3:1][CH2:7][CH2:9][C:21]1=[C:16]([CH3:3])[C:24]2=[CH:14]/[C:29]3=[C:32]([CH:19]([CH3:6])[OH:40])[C:18]([CH3:5])=[C:26](/[CH:13]=[C:25]4/[C@@H:17]([CH3:4])[C@H:22]([CH2:10][CH2:11][C:31](=[O:42])[OH:43])/[C:34](=[C:23]5\[CH2:12][C:30](=[O:41])[C:33]6=[C:20]([CH2:8][CH3:2])/[C:27](=[CH:15]\[C:28]1=[NH+:36]/2)[N:39]=[C:35]56)[NH:38]4)[N-:37]3.[Mg+2:44] |
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