Mrv1533006031517182D 93104 0 0 1 0 999 V2000 -1.6450 0.8102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1071 0.1268 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3344 -0.1621 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6464 0.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6968 1.1166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4351 1.4848 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0088 1.5720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3704 -0.9863 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9787 -1.5437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7248 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0428 -1.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6884 -1.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5665 -2.5272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4560 -1.4089 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1017 -1.9225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8693 -1.6202 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9913 -0.8042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7473 -2.4361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5149 -2.1338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2825 -1.8314 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.4470 -2.6399 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.8888 -2.5564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9282 -2.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6958 -2.0427 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9024 -1.2440 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3776 -0.6074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7258 -1.1937 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0282 -1.9613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3915 -2.4860 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4419 -3.3095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1802 -3.6776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1691 -0.4979 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8668 0.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5034 0.7944 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1992 0.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 0.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5826 -0.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3776 0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3760 -0.8054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9644 -1.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5810 -1.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9926 -0.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6042 -0.2738 0.0000 Co 0 0 0 0 0 0 0 0 0 0 0 0 -2.6207 -0.5188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1654 -1.2068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6912 -2.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1188 -2.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4230 -2.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0114 -1.9338 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7432 -2.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6076 -1.6952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9100 -0.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2733 -0.4029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5757 0.3647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8692 1.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3056 1.8598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0742 1.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6189 0.6921 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8238 0.9125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0483 1.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7878 1.7368 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9719 1.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5812 2.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 2.7559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5796 3.5546 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1978 2.1776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5606 2.0257 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7810 2.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5797 3.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8002 3.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2219 4.4107 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5989 4.0289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3991 0.3144 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.3631 1.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2151 0.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5174 1.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3333 1.3260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0038 1.8496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6057 -0.4843 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.3733 -0.7866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4953 -1.6026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2629 -1.9049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3849 -2.7208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9086 -1.3913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6071 -3.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6431 -3.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4306 -3.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7912 -3.2504 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4103 -3.9822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8536 -4.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4726 -5.4098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6484 -5.4458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9159 -6.1056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 3 4 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 3 8 1 0 0 0 0 8 9 1 6 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 1 0 0 0 16 18 1 1 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 1 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 24 29 1 0 0 0 0 29 30 1 6 0 0 0 30 31 1 0 0 0 0 27 32 1 1 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 2 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 41 42 2 0 0 0 0 32 42 1 0 0 0 0 35 42 1 0 0 0 0 34 43 1 0 0 0 0 43 44 1 0 0 0 0 2 44 1 0 0 0 0 44 45 1 0 0 0 0 8 45 1 0 0 0 0 45 46 2 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 48 49 2 0 0 0 0 43 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 51 52 1 0 0 0 0 52 53 2 0 0 0 0 43 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 2 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 57 58 2 0 0 0 0 43 58 1 0 0 0 0 58 59 1 0 0 0 0 2 59 1 0 0 0 0 59 60 1 1 0 0 0 59 61 1 0 0 0 0 61 62 1 1 0 0 0 61 63 1 6 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 64 66 2 0 0 0 0 61 67 1 0 0 0 0 57 67 1 0 0 0 0 67 68 1 1 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 70 72 2 0 0 0 0 54 73 1 0 0 0 0 73 74 1 1 0 0 0 73 75 1 6 0 0 0 75 76 1 0 0 0 0 76 77 1 0 0 0 0 76 78 2 0 0 0 0 73 79 1 0 0 0 0 52 79 1 0 0 0 0 79 80 1 1 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 82 84 2 0 0 0 0 50 85 1 0 0 0 0 85 86 1 0 0 0 0 85 87 1 0 0 0 0 85 88 1 0 0 0 0 48 88 1 0 0 0 0 88 89 1 1 0 0 0 89 90 1 0 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 91 93 2 0 0 0 0 M CHG 1 21 -1 M RAD 4 34 2 49 2 53 2 58 2 M END > M2MDB000574 > M2MDB > [H][C@]12[C@H](CC(N)=O)[C@@]3(C)CCC(=O)NC[C@@]([H])(C)OP([O-])(=O)O[C@H]4[C@@H](O)[C@H](O[C@@H]4CO)N4C=[N](C5=CC(C)=C(C)C=C45)[Co]456N1C3=C(C)C1=[N]4C(=CC3=[N]5C(=C(C)C4=[N]6[C@]2(C)[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C(C)(C)[C@@H]1CCC(N)=O > InChI=1S/C62H89N13O14P.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H2,63,77)(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H,69,83)(H,85,86);/q-1;+1/p-1/b54-32-;/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;/m1./s1 > DUDMLROBAKUAGO-ZGVRFWTPSA-M > C62H88CoN13O14P > 1329.371 > 1328.564874 > 0 > 179 > 136.34018112837836 > 0 > 0 > -1 > 0 > 0.79 > -4.61 > 1 > 12 > 0 > 479.2399999999999 > 348.4500000000001 > 16 > 0 > 3.34e-02 g/l > 0 > ECMDB04040 > Cob(I)alamin $$$$