Mrv1652307191923402D 93104 0 0 1 0 999 V2000 18.6458 -7.9868 0.0000 Co 0 7 0 0 0 0 0 0 0 0 0 0 17.9385 -9.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8266 -8.8854 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.8266 -7.1873 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 17.9385 -6.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2261 -6.0070 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.3797 -6.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5041 -7.1873 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 20.3282 -7.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7424 -8.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3282 -8.7405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5041 -8.8854 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 19.3797 -9.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1170 -10.0699 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2394 -10.8858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0071 -11.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1294 -12.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7092 -9.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3473 -10.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4811 -9.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8678 -5.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6757 -5.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6757 -5.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6757 -10.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6757 -10.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0149 -8.7405 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2180 -8.5270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0149 -7.3116 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.2180 -7.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2261 -10.8949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7092 -6.5868 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4237 -6.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1382 -6.5868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8526 -6.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8526 -5.3493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5671 -6.5868 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.1170 -5.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8316 -4.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8316 -3.9445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5460 -5.1820 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.1170 -6.0070 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.9195 -6.9993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2051 -6.5868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2051 -5.7618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4905 -6.9993 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6339 -9.4901 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.9195 -9.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2051 -9.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2051 -8.6651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4905 -9.9026 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2885 -13.5106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9676 -13.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9230 -14.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6980 -12.9344 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 19.1066 -14.1312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5297 -14.7228 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2748 -15.5074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4498 -15.5074 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9649 -16.1749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3004 -16.9285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8623 -14.2379 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8623 -13.4129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1949 -14.7228 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4102 -14.4679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5116 -11.3074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7973 -11.7199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0827 -11.3074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7973 -12.5449 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0827 -12.9574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5116 -10.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2261 -10.0699 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0827 -13.7824 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7971 -14.1949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3682 -14.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9721 -15.0199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7971 -15.0199 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 16.2096 -15.7344 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 20.4840 -12.5175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8971 -12.3056 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6339 -6.5868 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9830 -6.0930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3807 -14.9367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5695 -14.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2193 -5.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5017 -4.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4953 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7776 -3.5432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2066 -3.5320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.2041 -14.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1118 -13.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6618 -15.5697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3927 -14.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6470 -6.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 24 2 2 0 0 0 0 2 3 1 0 0 0 0 71 2 1 0 0 0 0 26 3 1 0 0 0 0 28 4 1 0 0 0 0 4 5 2 0 0 0 0 6 5 1 0 0 0 0 5 22 1 0 0 0 0 6 84 1 6 0 0 0 80 6 1 0 0 0 0 22 7 2 0 0 0 0 7 8 1 0 0 0 0 41 7 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 31 9 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 24 13 1 0 0 0 0 14 15 1 6 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 78 2 0 0 0 0 17 79 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 41 21 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 26 46 1 0 0 0 0 26 28 1 0 0 0 0 26 27 1 1 0 0 0 28 80 1 0 0 0 0 28 29 1 6 0 0 0 71 30 1 1 0 0 0 31 41 1 0 0 0 0 31 32 1 6 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 37 38 1 0 0 0 0 41 37 1 1 0 0 0 38 40 1 0 0 0 0 38 39 2 0 0 0 0 80 42 1 1 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 46 71 1 0 0 0 0 46 47 1 1 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 48 50 1 0 0 0 0 90 51 2 0 0 0 0 51 54 1 0 0 0 0 51 53 1 0 0 0 0 52 55 1 0 0 0 0 52 54 2 0 0 0 0 53 82 2 0 0 0 0 55 53 1 0 0 0 0 56 55 1 1 0 0 0 56 61 1 0 0 0 0 56 57 1 0 0 0 0 58 57 1 0 0 0 0 63 58 1 0 0 0 0 58 59 1 6 0 0 0 59 60 1 0 0 0 0 61 63 1 0 0 0 0 61 62 1 1 0 0 0 63 64 1 1 0 0 0 76 64 1 0 0 0 0 70 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 2 0 0 0 0 66 68 1 0 0 0 0 69 68 1 0 0 0 0 72 69 1 0 0 0 0 71 70 1 0 0 0 0 72 73 1 0 0 0 0 72 74 1 6 0 0 0 76 73 1 0 0 0 0 76 75 2 0 0 0 0 76 77 1 0 0 0 0 80 81 1 0 0 0 0 82 89 1 0 0 0 0 89 83 2 0 0 0 0 90 83 1 0 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 86 88 1 0 0 0 0 86 87 2 0 0 0 0 83 92 1 0 0 0 0 89 91 1 0 0 0 0 8 1 1 0 0 0 0 4 1 1 0 0 0 0 12 1 1 0 0 0 0 1 93 1 1 0 0 0 1 54 1 0 0 0 0 M CHG 6 1 -3 4 1 8 1 12 1 54 1 77 -1 M END > T3D0679 > t3db > C1(CC[C@@]2([C@@H](CC(N)=O)[C@@]3([C@@]4([N+]5=C([C@H]([C@@]4(CC(N)=O)C)CCC(N)=O)C(C)=C4[N+]6=C(C=C7[N+]8=C([C@H](C7(C)C)CCC(N)=O)C(C)=C2N3[Co-3]568([N+]2=CN([C@H]3O[C@@H]([C@@H](OP(O[C@@H](CN1)C)([O-])=O)[C@H]3O)CO)C1=CC(C)=C(C=C21)C)C)[C@H]([C@@]4(CC(N)=O)C)CCC(N)=O)C)[H])C)=O > InChI=1S/C62H90N13O14P.CH3.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,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);1H3;/q;;+2/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1 > JEWJRMKHSMTXPP-WZHZPDAFSA-L > C63H91CoN13O14P > 1344.3823 > 1343.587806391 > 13 > 183 > 135.9251303017508 > 0 > 9 > 0 > 0 > (10S,12R,13S,17R,23R,24R,25R,30S,35S,36S,40S,41S,42R,46R)-30,35,40-tris(2-carbamoylethyl)-24,36,41-tris(carbamoylmethyl)-46-hydroxy-12-(hydroxymethyl)-1,5,6,17,23,28,31,31,36,38,41,42-dodecamethyl-15,20-dioxo-11,14,16-trioxa-2lambda5,9,19,26,43lambda5,44lambda5,45lambda5-heptaaza-15lambda5-phospha-1-cobaltadodecacyclo[27.14.1.1^{1,34}.1^{2,9}.1^{10,13}.0^{1,26}.0^{3,8}.0^{23,27}.0^{25,42}.0^{32,44}.0^{39,43}.0^{37,45}]heptatetraconta-2(47),3,5,7,27,29(44),32,34(45),37,39(43)-decaene-2,43,44,45-tetrakis(ylium)-1,1,1-triuid-15-olate > -13.88479676588698 > 1 > 12 > 0 > 12.579386323469642 > 1.8190893728359194 > -0.4426613958262743 > 416.99999999999994 > 342.7936000000002 > 16 > 0 > (10S,12R,13S,17R,23R,24R,25R,30S,35S,36S,40S,41S,42R,46R)-30,35,40-tris(2-carbamoylethyl)-24,36,41-tris(carbamoylmethyl)-46-hydroxy-12-(hydroxymethyl)-1,5,6,17,23,28,31,31,36,38,41,42-dodecamethyl-15,20-dioxo-11,14,16-trioxa-2lambda5,9,19,26,43lambda5,44lambda5,45lambda5-heptaaza-15lambda5-phospha-1-cobaltadodecacyclo[27.14.1.1^{1,34}.1^{2,9}.1^{10,13}.0^{1,26}.0^{3,8}.0^{23,27}.0^{25,42}.0^{32,44}.0^{39,43}.0^{37,45}]heptatetraconta-2(47),3,5,7,27,29(44),32,34(45),37,39(43)-decaene-2,43,44,45-tetrakis(ylium)-1,1,1-triuid-15-olate > 0 > T3D0679 > Methylcobalamin > 13422-55-4 > Algobaz; Co-Methylcobalamin; Hitocobamin M; MeCbl; Mecobalamin; Methycobal; Methyl cobalamine; Methyl vitamin B12; Methyl-5,6-dimethylbenzimidazolylcobalamin; Methyl-B12; Methylcob(III)alamin; Methylcobaz > Organic Compound; Aromatic Hydrocarbon; Cobalt Compound; Organometallic; Pollutant; Food Toxin; Metabolite; Natural Compound $$$$