Mrv1652305221921312D 73 74 0 0 1 0 999 V2000 -11.8635 -0.8202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1430 3.7173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1490 -1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1430 2.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4346 -0.8202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4285 2.4798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7201 -1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4285 1.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0056 -0.8202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7140 1.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2911 -1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7140 0.4173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5767 -0.8202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9996 0.0048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8622 -1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9996 -0.8202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1477 -0.8202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2851 -1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4333 -1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5706 -0.8202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7188 -0.8202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8562 -1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0043 -1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1417 -0.8202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2898 -0.8202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4272 -1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5754 -1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7127 -0.8202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8609 -0.8202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9983 -1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1464 -1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2838 -0.8202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4320 -0.8202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5693 -1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7622 2.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9417 3.0444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7114 -1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4259 0.0048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2345 3.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4259 -0.8202 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5200 3.6068 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2471 3.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2825 -1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8549 -0.8202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4338 4.4273 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6268 4.5988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2143 3.8843 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0911 4.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0676 3.5394 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9116 4.3793 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6062 3.7981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2825 -2.0577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8549 0.0048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0469 4.9793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2912 5.3525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7555 5.2192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7114 2.0673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8864 1.2423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6634 1.5443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3614 2.6712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9970 -0.8202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7114 0.4173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2345 2.3693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1404 -1.2327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7663 3.2712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5364 1.2423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7114 1.2423 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.9489 1.9568 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.7114 -0.4077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2119 4.0561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2202 5.2241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1971 4.6420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0814 3.1141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 10 1 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 15 13 2 0 0 0 0 16 14 1 0 0 0 0 15 17 1 4 0 0 0 18 16 1 0 0 0 0 19 17 1 0 0 0 0 20 18 2 0 0 0 0 21 19 1 0 0 0 0 20 22 1 4 0 0 0 23 21 1 0 0 0 0 24 22 1 0 0 0 0 25 23 1 0 0 0 0 26 24 1 0 0 0 0 27 25 1 0 0 0 0 28 26 1 0 0 0 0 29 27 1 0 0 0 0 30 28 1 0 0 0 0 31 29 1 0 0 0 0 32 30 1 0 0 0 0 33 31 1 0 0 0 0 34 32 1 0 0 0 0 36 35 2 0 0 0 0 40 37 1 0 0 0 0 40 38 1 0 0 0 0 41 39 1 1 0 0 0 42 35 1 0 0 0 0 43 33 1 0 0 0 0 44 34 1 0 0 0 0 45 41 1 0 0 0 0 46 45 1 0 0 0 0 47 46 1 0 0 0 0 49 42 2 0 0 0 0 50 42 1 0 0 0 0 50 48 2 0 0 0 0 51 36 1 0 0 0 0 47 51 1 1 0 0 0 51 48 1 0 0 0 0 52 43 2 0 0 0 0 53 44 2 0 0 0 0 45 54 1 1 0 0 0 55 46 1 0 0 0 0 56 48 1 0 0 0 0 61 37 1 0 0 0 0 61 43 1 0 0 0 0 62 38 1 0 0 0 0 63 39 1 0 0 0 0 40 64 1 1 0 0 0 64 44 1 0 0 0 0 65 41 1 0 0 0 0 65 47 1 0 0 0 0 67 57 1 0 0 0 0 67 58 2 0 0 0 0 67 62 1 0 0 0 0 67 66 1 0 0 0 0 68 59 1 0 0 0 0 68 60 2 0 0 0 0 68 63 1 0 0 0 0 68 66 1 0 0 0 0 40 69 1 1 0 0 0 41 70 1 6 0 0 0 45 71 1 6 0 0 0 72 46 1 0 0 0 0 47 73 1 6 0 0 0 M END > FDB024183 > foodb > [H][C@@](COC(=O)CCCCCCCCCC=CCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=CC(=N)N=C2O)C([H])(O)[C@@]1([H])O)OC(=O)CCCCCCCC=CCCCCCCCC > InChI=1S/C48H85N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(52)61-37-40(64-44(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)38-62-67(57,58)66-68(59,60)63-39-41-45(54)46(55)47(65-41)51-36-35-42(49)50-48(51)56/h13,15,18,20,35-36,40-41,45-47,54-55H,3-12,14,16-17,19,21-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/t40-,41-,45+,46?,47-/m1/s1 > MJTZWNDRIHJESM-KTSAPKHVSA-N > C48H85N3O15P2 > 1006.1471 > 1005.545592089 > 13 > 153 > 110.89493309338289 > 0 > 6 > 0 > 0 > {[(2R,3R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}({hydroxy[(2R)-3-(octadec-11-enoyloxy)-2-(octadec-9-enoyloxy)propoxy]phosphoryl}oxy)phosphinic acid > 6.97 > 10.687828687268226 > -5.48 > 0 > 2 > -2 > 3.3455136300308417 > 2.553078641797392 > 1.7769640264507989 > 264.25999999999993 > 272.26020000000005 > 44 > 0 > 3.31e-03 g/l > [(2R,3R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-iminopyrimidin-1-yl)oxolan-2-yl]methoxy([hydroxy((2R)-3-(octadec-11-enoyloxy)-2-(octadec-9-enoyloxy)propoxy)phosphoryl]oxy)phosphinic acid > 0 > FDB024183 > CDP-DG(18:1(11Z)/18:1(9Z)) $$$$