Marvin 11061217092D 94105 0 0 1 0 999 V2000 -0.6472 -1.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7591 -0.7620 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7591 0.9361 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.6472 1.7396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3596 2.1164 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4780 2.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8302 3.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9487 4.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7149 4.5657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7940 1.7396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9183 0.9361 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.7425 0.7870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1566 0.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7425 -0.6171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9183 -0.7620 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7940 -1.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5313 -1.9465 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6536 -2.7624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4214 -3.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5437 -3.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3114 -4.1822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1235 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7616 -1.8896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8954 -1.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 2.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 2.9745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -1.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -2.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 -0.6171 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3677 -0.4036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 0.8118 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3677 0.5983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0741 -3.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7885 -3.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5030 -3.1840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7885 -4.4215 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5030 -4.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5030 -5.6590 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0741 -2.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3596 -1.9465 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3596 -2.7715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3008 4.7709 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8983 -4.3941 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5001 -5.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6751 -7.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6751 -5.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3694 -5.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2626 -6.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1231 -5.0734 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.4556 -6.2294 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9126 -6.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7376 -6.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5001 -7.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9126 -7.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1575 -6.7815 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0712 -7.6020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8249 -7.9375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9964 -8.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7811 -8.9994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9645 -6.6099 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3000 -5.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3770 -7.3244 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1974 -7.4107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0601 0.1366 0.0000 Co 0 7 0 0 0 0 0 0 0 0 0 0 -0.4324 2.9513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1460 3.5514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1235 1.5366 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8380 1.9490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5525 1.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2670 1.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2670 2.7738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9814 1.5363 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9518 -1.3667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6663 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3808 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3808 -0.5418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0952 -1.7794 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9518 1.5366 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6663 1.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3808 1.5367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0953 1.1243 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3808 2.3617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5352 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5313 2.1164 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2458 2.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5313 2.9414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2458 3.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2459 4.1789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9602 2.9414 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7808 -6.8273 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.7808 -6.0023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1933 -7.5418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2175 -6.0715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5777 -7.0408 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 27 1 2 0 0 0 0 1 2 1 0 0 0 0 40 1 1 0 0 0 0 29 2 1 0 0 0 0 2 64 1 0 0 0 0 29 73 1 0 0 0 0 29 31 1 0 0 0 0 73 40 1 0 0 0 0 31 3 1 0 0 0 0 31 78 1 0 0 0 0 3 4 2 0 0 0 0 5 4 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 6 0 0 0 78 5 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 42 1 0 0 0 0 8 9 2 0 0 0 0 25 10 2 0 0 0 0 10 11 1 0 0 0 0 10 84 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 67 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 22 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 6 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 43 1 0 0 0 0 20 21 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 67 84 1 0 0 0 0 11 64 1 0 0 0 0 3 64 1 0 0 0 0 15 64 1 0 0 0 0 25 26 1 0 0 0 0 27 28 1 0 0 0 0 29 30 1 1 0 0 0 31 32 1 6 0 0 0 39 33 1 0 0 0 0 33 34 1 0 0 0 0 34 36 1 0 0 0 0 34 35 2 0 0 0 0 37 36 1 0 0 0 0 38 37 1 0 0 0 0 40 39 1 6 0 0 0 40 41 1 1 0 0 0 27 16 1 0 0 0 0 44 46 2 0 0 0 0 44 51 1 0 0 0 0 48 45 2 0 0 0 0 45 53 1 0 0 0 0 46 49 1 0 0 0 0 46 48 1 0 0 0 0 47 50 1 0 0 0 0 47 49 2 0 0 0 0 50 48 1 0 0 0 0 55 50 1 1 0 0 0 53 51 2 0 0 0 0 51 52 1 0 0 0 0 53 54 1 0 0 0 0 55 60 1 0 0 0 0 55 56 1 0 0 0 0 57 56 1 0 0 0 0 62 57 1 0 0 0 0 57 58 1 6 0 0 0 58 59 1 0 0 0 0 60 62 1 0 0 0 0 60 61 1 1 0 0 0 62 63 1 1 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 67 68 1 6 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 70 72 1 0 0 0 0 70 71 2 0 0 0 0 73 74 1 1 0 0 0 74 75 1 0 0 0 0 75 77 1 0 0 0 0 75 76 2 0 0 0 0 78 79 1 0 0 0 0 79 80 1 0 0 0 0 80 82 2 0 0 0 0 80 81 1 0 0 0 0 78 83 1 6 0 0 0 84 85 1 6 0 0 0 84 86 1 1 0 0 0 86 87 1 0 0 0 0 87 89 1 0 0 0 0 87 88 2 0 0 0 0 63 90 1 0 0 0 0 90 91 1 0 0 0 0 90 92 2 0 0 0 0 38 91 1 6 0 0 0 38 93 1 0 0 0 0 90 94 1 0 0 0 0 49 64 1 0 0 0 0 M CHG 6 3 1 11 1 15 1 49 1 64 -3 94 -1 M END > CHEBI:27786 > hydroxocobalamin > 3 > CHEBI:5795; CHEBI:5803; CHEBI:24652 > vitamin B-12b; OH-Cbl; Hydroxycobalamin; Hydroxycobalamin > Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-Cobeta-hydroxocobamide > hydroxocobalaminum; hydroxocobalamine; hydroxocobalamin; hidroxocobalamina > Cyanokit; AlphaRedisol > C62H89CoN13O15P > 1346.35510 > 1345.56706 > 0 > [H]O[Co-3]1234N5C6=C(C)C7=[N+]1C(=CC1=[N+]2C(=C(C)C2=[N+]3[C@@](C)([C@@]5([H])[C@H](CC(N)=O)[C@@]6(C)CCC(=O)NC[C@@H](C)OP([O-])(=O)O[C@H]3[C@@H](O)[C@H](O[C@@H]3CO)n3c[n+]4c4cc(C)c(C)cc34)[C@@](C)(CC(N)=O)[C@@H]2CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]1CCC(N)=O)C(C)(C)[C@@H]7CCC(N)=O > InChI=1S/C62H90N13O14P.Co.H2O/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,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;1H2/q;+3;/p-3/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1 > YOZNUFWCRFCGIH-WZHZPDAFSA-K > 13422-51-0 > 5723 > 13422-51-0 > DB00200 > C08230 > D01027 > C00050467 > CPD0-1256 > Hydroxocobalamin > 11830394; 15815367; 20352539; 31000316; 31864779; 32718732; 32815652; 33005568; 33224611; 33246585; 33283331; 33444605; 33692053; 33754111; 33912838; 34023033; 34176677; 7802338; 8012169; 8440794; 8857117; 9102519 $$$$