Mrv1652309102223102D 61 63 0 0 0 0 999 V2000 1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 3.7125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8618 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8618 6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 7.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8618 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8618 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -6.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -6.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 4 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 10 8 1 4 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 15 14 1 4 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 25 23 1 4 0 0 0 25 26 2 0 0 0 0 27 26 1 4 0 0 0 27 28 2 0 0 0 0 29 28 1 4 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 2 0 0 0 0 33 34 1 4 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 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 45 47 1 0 0 0 0 39 47 1 0 0 0 0 47 48 1 0 0 0 0 37 49 2 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 51 53 1 0 0 0 0 53 54 1 0 0 0 0 53 55 2 0 0 0 0 55 56 1 0 0 0 0 49 56 1 0 0 0 0 56 57 2 0 0 0 0 34 57 1 0 0 0 0 57 58 1 0 0 0 0 2 59 1 0 0 0 0 59 60 2 0 0 0 0 59 61 1 0 0 0 0 M END > NP0305382 > NP-MRD > CC(C=CC=CC=CC(O)=NC1=C(Cl)C(OC2OC(C)C(O)C(O)C2O)=C2C=C(O)C(C)=CC2=C1O)C(O)CC(=O)C(C)=CCC(O)C=CC(C)C(O)C(C)C=C(C)C(O)=O > InChI=1S/C45H58ClNO14/c1-22(33(50)21-34(51)23(2)14-16-29(48)17-15-24(3)38(53)26(5)18-27(6)44(58)59)12-10-8-9-11-13-35(52)47-37-36(46)43(31-20-32(49)25(4)19-30(31)40(37)55)61-45-42(57)41(56)39(54)28(7)60-45/h8-15,17-20,22,24,26,28-29,33,38-39,41-42,45,48-50,53-57H,16,21H2,1-7H3,(H,47,52)(H,58,59) > VQWNHRGKFQAPGU-UHFFFAOYSA-N > C45H58ClNO14 > 872.4 > 871.3545833 > 15 > 119 > 94.30482719272875 > 0 > 10 > 0 > 0 > 22-({3-chloro-1,6-dihydroxy-7-methyl-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]naphthalen-2-yl}-C-hydroxycarbonimidoyl)-5,9,15-trihydroxy-2,4,6,12,16-pentamethyl-13-oxodocosa-2,7,11,17,19,21-hexaenoic acid > 5.488582047213245 > 1 > 3 > -1 > 4.611740793834008 > -2.1444157487969875 > 16.369860378436844 > 267.25999999999993 > 236.9286000000001 > 19 > 0 > 22-({3-chloro-1,6-dihydroxy-7-methyl-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]naphthalen-2-yl}-C-hydroxycarbonimidoyl)-5,9,15-trihydroxy-2,4,6,12,16-pentamethyl-13-oxodocosa-2,7,11,17,19,21-hexaenoic acid > 0 > NP0305382 > 22-({3-chloro-1,6-dihydroxy-7-methyl-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]naphthalen-2-yl}-c-hydroxycarbonimidoyl)-5,9,15-trihydroxy-2,4,6,12,16-pentamethyl-13-oxodocosa-2,7,11,17,19,21-hexaenoic acid $$$$