| Properties | Image |
|---|
| MNX_ID | MNXM499659 |
 |
| reference | seedM:cpd25539 |
| formula | C42H37CoN4O16 |
| global charge | -9 |
| mol weight | 912.703 |
| InChIKey | LSYVTVRLOVEXCI-URAPKPMPSA-E |
| InChI | InChI=1S/C42H46N4O16.Co/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29;/h14-16,23-24H,3-13,17-18H2,1-2H3,(H9,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62);/q-2;+2/p-9/b29-14-,31-15-;/t23-,24-,41+,42+;/m1./s1 |
| SMILES | C[C@@]1(CC(=O)[O-])C2=CC3=[N+]4C(=CC5=C(CC(=O)[O-])C(CCC(=O)[O-])=C6CC7=C(CCC(=O)[O-])C(CC(=O)[O-])=C8C=C([C@H]1CCC(=O)[O-])N2[Co-2]4(N87)N56)[C@@](C)(CC(=O)[O-])[C@@H]3CCC(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C42H46N4O16.Co/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29;/h14-16,23-24H,3-13,17-18H2,1-2H3,(H9,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62);/q-2;+2/b29-14-,31-15-;/t23-,24-,41+,42+;/m1./s1 |
 |
| SMILES (mnx) | [CH3:1][C@:41]1([CH2:17][C:39](=[O:59])[OH:60])[C@H:23]([CH2:5][CH2:9][C:35](=[O:51])[OH:52])/[C:29]2=[CH:14]/[C:27]3=[C:21]([CH2:11][C:37](=[O:55])[OH:56])[C:19]([CH2:3][CH2:7][C:33](=[O:47])[OH:48])=[C:25]([CH2:13][C:26]4=[C:20]([CH2:4][CH2:8][C:34](=[O:49])[OH:50])[C:22]([CH2:12][C:38](=[O:57])[OH:58])=[C:28](/[CH:15]=[C:31]5/[C@@:42]([CH3:2])([CH2:18][C:40](=[O:61])[OH:62])[C@H:24]([CH2:6][CH2:10][C:36](=[O:53])[OH:54])[C:30](=[CH:16][C:32]1=[NH+:45]2)[N-:46]5)[N-:44]4)[N-:43]3.[Co+2:63] |
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