Mrv1652309102222082D 97 98 0 0 0 0 999 V2000 10.9871 -1.1921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2572 0.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9871 0.9907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5272 1.6143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3373 1.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6074 0.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4175 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6876 -0.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4977 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7677 -1.1921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5779 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1180 -0.7243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8479 -2.1275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6580 -2.2834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1981 -1.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0083 -1.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5484 -1.1921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0094 -1.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5495 -0.7494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3596 -0.9053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2488 -0.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0589 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5990 0.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9281 -3.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7382 -3.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2783 -2.5952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0083 -3.9984 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.8184 -4.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0884 -4.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5484 -5.5575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8184 -6.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2783 -6.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5484 -7.7403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0083 -8.3639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2783 -9.1435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0884 -9.2994 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 18.9325 -10.1095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2444 -8.4893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8986 -9.4553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1981 -8.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6580 -8.8317 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8479 -8.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5779 -7.8962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3078 -9.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4977 -9.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2276 -8.3639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4175 -8.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1475 -7.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3373 -7.2726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0673 -6.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2572 -6.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9871 -5.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1770 -5.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9069 -4.6221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9576 -9.7671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1475 -9.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8774 -8.8317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6074 -10.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7972 -10.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2572 -10.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4470 -10.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9069 -11.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0968 -11.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5567 -11.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7466 -11.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2065 -12.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9281 -7.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1180 -7.2726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4682 -6.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1981 -6.0253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8986 -5.0898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4387 -4.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2488 -4.6221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5188 -5.4016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1686 -3.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7087 -3.0630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5188 -3.2189 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 21.6748 -2.4088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3629 -4.0290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3290 -3.3748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3585 -3.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0884 -2.7512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6285 -2.1275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4387 -2.2834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3585 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8986 -0.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7087 -0.8802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6285 0.0552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1686 0.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8986 1.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4387 2.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1686 2.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7087 3.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4387 4.2648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9788 4.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7087 5.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 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 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 15 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 0 0 0 0 28 29 1 4 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 37 40 1 0 0 0 0 35 41 1 0 0 0 0 42 41 1 4 0 0 0 42 43 2 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 46 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 2 0 0 0 0 57 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 41 68 1 0 0 0 0 68 69 1 0 0 0 0 68 70 1 0 0 0 0 33 70 1 0 0 0 0 70 71 1 0 0 0 0 30 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 73 76 1 0 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 78 79 2 0 0 0 0 78 80 1 0 0 0 0 78 81 1 0 0 0 0 76 82 1 0 0 0 0 29 82 1 0 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 84 85 2 0 0 0 0 84 86 1 0 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 87 89 1 0 0 0 0 89 90 1 0 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 M END > NP0304793 > NP-MRD > CCCCCCCCCCCC(=O)OC(CCCCCCCCC)CC(O)=NC1C(OCC2OC(OP(O)(O)=O)C(N=C(O)CC(CCCCCCCCC)OC(=O)CCCCCCCCC)C(O)C2O)OC(CO)C(OP(O)(O)=O)C1OC(=O)CC(O)CCCCCCCCC > InChI=1S/C70H132N2O23P2/c1-6-11-16-21-26-27-32-37-42-47-61(78)90-55(45-40-35-30-24-19-14-9-4)50-59(76)72-64-68(93-62(79)48-53(74)43-38-33-28-22-17-12-7-2)67(94-96(82,83)84)56(51-73)91-69(64)88-52-57-65(80)66(81)63(70(92-57)95-97(85,86)87)71-58(75)49-54(44-39-34-29-23-18-13-8-3)89-60(77)46-41-36-31-25-20-15-10-5/h53-57,63-70,73-74,80-81H,6-52H2,1-5H3,(H,71,75)(H,72,76)(H2,82,83,84)(H2,85,86,87) > MUSMANHMXROOTP-UHFFFAOYSA-N > C70H132N2O23P2 > 1431.765 > 1430.869612514 > 20 > 229 > 163.34667543391117 > 0 > 10 > 0 > 0 > 3-(decanoyloxy)-N-(6-{[(3-{[3-(dodecanoyloxy)-1-hydroxydodecylidene]amino}-4-[(3-hydroxydodecanoyl)oxy]-6-(hydroxymethyl)-5-(phosphonooxy)oxan-2-yl)oxy]methyl}-4,5-dihydroxy-2-(phosphonooxy)oxan-3-yl)dodecanimidic acid > 16.36270580033333 > 0 > 2 > -4 > 1.2089945140175784 > 0.553009262942378 > -3.627925967859494 > 386.21000000000004 > 366.30699999999985 > 64 > 0 > 3-(decanoyloxy)-N-(6-{[(3-{[3-(dodecanoyloxy)-1-hydroxydodecylidene]amino}-4-[(3-hydroxydodecanoyl)oxy]-6-(hydroxymethyl)-5-(phosphonooxy)oxan-2-yl)oxy]methyl}-4,5-dihydroxy-2-(phosphonooxy)oxan-3-yl)dodecanimidic acid > 0 > NP0304793 > 3-(decanoyloxy)-n-(6-{[(3-{[3-(dodecanoyloxy)-1-hydroxydodecylidene]amino}-4-[(3-hydroxydodecanoyl)oxy]-6-(hydroxymethyl)-5-(phosphonooxy)oxan-2-yl)oxy]methyl}-4,5-dihydroxy-2-(phosphonooxy)oxan-3-yl)dodecanimidic acid $$$$