| Properties | Image |
|---|
| MNX_ID | MNXM741457 |
 |
| reference | biggM:copre3 |
| formula | C43H40CoN4O16 |
| global charge | -8 |
| mol weight | 927.738 |
| InChIKey | FKTVLCPLZMVWHD-NCRUVESLSA-E |
| InChI | InChI=1S/C43H49N4O16.Co/c1-19-40-23(13-37(58)59)21(5-9-33(50)51)27(46-40)14-26-20(4-8-32(48)49)22(12-36(56)57)28(44-26)15-29-24(6-10-34(52)53)42(2,17-38(60)61)31(45-29)16-30-25(7-11-35(54)55)43(3,18-39(62)63)41(19)47-30;/h15-16,22,24-25H,4-14,17-18H2,1-3H3,(H9,44,45,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q-1;+2/p-9/b41-19+;/t22?,24-,25?,42+,43?;/m1./s1 |
| SMILES | CC1=C2[N+]3=C(C=C4N5C(=CC6=[N+]7C(=C(CCC(=O)[O-])C6CC(=O)[O-])CC6=C(CCC(=O)[O-])C(CC(=O)[O-])=C1N6[Co-2]573)[C@@H](CCC(=O)[O-])[C@]4(C)CC(=O)[O-])C(CCC(=O)[O-])C2(C)CC(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C43H49N4O16.Co/c1-19-40-23(13-37(58)59)21(5-9-33(50)51)27(46-40)14-26-20(4-8-32(48)49)22(12-36(56)57)28(44-26)15-29-24(6-10-34(52)53)42(2,17-38(60)61)31(45-29)16-30-25(7-11-35(54)55)43(3,18-39(62)63)41(19)47-30;/h15-16,22,24-25H,4-14,17-18H2,1-3H3,(H9,44,45,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q-1;+2/b41-19+;/t22?,24-,25?,42+,43?;/m1./s1 |
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| SMILES (mnx) | [CH3:1]/[C:19]1=[C:41]2/[C:43]([CH3:3])([CH2:18][C:39](=[O:62])[OH:63])[CH:25]([CH2:7][CH2:11][C:35](=[O:54])[OH:55])[C:30](=[N:47]2)[CH:16]=[C:31]2[C@@:42]([CH3:2])([CH2:17][C:38](=[O:60])[OH:61])[C@H:24]([CH2:6][CH2:10][C:34](=[O:52])[OH:53])[C:29](=[NH+:45]2)[CH:15]=[C:28]2[CH:22]([CH2:12][C:36](=[O:56])[OH:57])[C:20]([CH2:4][CH2:8][C:32](=[O:48])[OH:49])=[C:26]([CH2:14][C:27]3=[C:21]([CH2:5][CH2:9][C:33](=[O:50])[OH:51])[C:23]([CH2:13][C:37](=[O:58])[OH:59])=[C:40]1[N-:46]3)[N-:44]2.[Co+2:64] |
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