157395 -OEChem-05122404262D 95102 0 1 0 0 0 0 0999 V2000 9.1281 -0.5995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7125 -1.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4604 0.7701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0458 1.9559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4851 -1.9402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1519 0.0485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7942 1.9213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0209 -1.2756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5262 -1.0787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5262 0.9213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8970 -3.0603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9868 -2.1315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8138 0.4038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7892 -4.0638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0269 -4.8804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3354 -3.6658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7515 1.9135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9066 4.5594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9281 4.3861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2385 3.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9207 4.9321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9085 4.0445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2094 2.1192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7737 -4.2261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0730 -0.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9271 -2.4141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1281 0.4421 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6112 -0.4303 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6348 -0.2146 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.0342 0.9560 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.9281 0.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0618 -1.0342 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.9281 -0.5787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7942 -1.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0342 -1.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7942 0.9213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0655 -0.9478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3063 -1.9677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6602 -0.5787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3862 -2.3941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3925 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6602 0.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5204 1.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0719 -2.5351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3242 -3.3451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8617 2.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9749 -3.4832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9121 -2.7598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1103 -3.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2184 2.8169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5358 0.9370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2337 2.6425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8924 1.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8901 2.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9159 -2.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5588 3.8013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5759 3.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2532 3.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8696 1.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5830 3.9909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5489 3.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4926 -1.7674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3429 -3.4929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1934 2.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3466 -3.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4963 -1.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9234 -2.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6939 0.8847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1478 -0.8423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0823 0.2145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5003 1.2711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7066 -1.5423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4478 -0.8942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0120 -1.5655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5862 2.2597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7666 -3.6161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3311 2.2313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0631 -0.7687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5262 1.5413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2835 1.7379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4872 -2.4976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6648 0.9200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7299 -4.6809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4659 -5.1446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8478 -1.2592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6053 -4.0546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1115 5.1446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5347 4.8654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4524 3.9460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5308 5.0426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2976 3.9387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0361 -4.7878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4553 -0.7214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5718 -2.9223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 1 35 1 0 0 0 0 2 28 1 0 0 0 0 2 41 1 0 0 0 0 3 29 1 0 0 0 0 3 43 1 0 0 0 0 4 30 1 0 0 0 0 4 75 1 0 0 0 0 5 32 1 0 0 0 0 5 48 1 0 0 0 0 6 37 1 0 0 0 0 6 51 1 0 0 0 0 7 36 1 0 0 0 0 7 77 1 0 0 0 0 8 35 2 0 0 0 0 9 39 1 0 0 0 0 9 78 1 0 0 0 0 10 42 1 0 0 0 0 10 79 1 0 0 0 0 11 41 2 0 0 0 0 12 44 1 0 0 0 0 12 81 1 0 0 0 0 13 43 2 0 0 0 0 14 47 1 0 0 0 0 14 83 1 0 0 0 0 15 49 1 0 0 0 0 15 84 1 0 0 0 0 16 48 2 0 0 0 0 17 51 2 0 0 0 0 18 56 1 0 0 0 0 18 87 1 0 0 0 0 19 57 1 0 0 0 0 19 88 1 0 0 0 0 20 58 1 0 0 0 0 20 89 1 0 0 0 0 21 60 1 0 0 0 0 21 90 1 0 0 0 0 22 61 1 0 0 0 0 22 91 1 0 0 0 0 23 64 1 0 0 0 0 23 92 1 0 0 0 0 24 65 1 0 0 0 0 24 93 1 0 0 0 0 25 66 1 0 0 0 0 25 94 1 0 0 0 0 26 67 1 0 0 0 0 26 95 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 27 68 1 0 0 0 0 28 29 1 0 0 0 0 28 69 1 0 0 0 0 29 32 1 0 0 0 0 29 70 1 0 0 0 0 30 31 1 0 0 0 0 30 71 1 0 0 0 0 31 33 1 0 0 0 0 31 36 2 0 0 0 0 32 37 1 0 0 0 0 32 72 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 34 38 1 0 0 0 0 34 39 1 0 0 0 0 36 42 1 0 0 0 0 37 73 1 0 0 0 0 37 74 1 0 0 0 0 38 40 1 0 0 0 0 38 44 2 0 0 0 0 39 42 2 0 0 0 0 40 41 1 0 0 0 0 40 45 2 0 0 0 0 43 46 1 0 0 0 0 44 47 1 0 0 0 0 45 49 1 0 0 0 0 45 76 1 0 0 0 0 46 50 1 0 0 0 0 46 54 2 0 0 0 0 47 49 2 0 0 0 0 48 55 1 0 0 0 0 50 52 1 0 0 0 0 50 56 2 0 0 0 0 51 53 1 0 0 0 0 52 53 1 0 0 0 0 52 57 2 0 0 0 0 53 59 2 0 0 0 0 54 58 1 0 0 0 0 54 80 1 0 0 0 0 55 62 2 0 0 0 0 55 63 1 0 0 0 0 56 60 1 0 0 0 0 57 61 1 0 0 0 0 58 60 2 0 0 0 0 59 64 1 0 0 0 0 59 82 1 0 0 0 0 61 64 2 0 0 0 0 62 66 1 0 0 0 0 62 85 1 0 0 0 0 63 65 2 0 0 0 0 63 86 1 0 0 0 0 65 67 1 0 0 0 0 66 67 2 0 0 0 0 M END > 157395 > 1 > 1880 > 26 > 16 > 4 > AAADceB8PgAAAAAAAAAAAAAAAAAAAAAAAAA0YMGDAAAAAACRVAAAGgAACAAADBSgmAIwDoAABgCIAiDSCAACAAAkIAAAiAEGiMgJNzKCNRqCcQElwBULuYfK7PzOoAADCAAYQABAAAYQADCAAAAAAAAAAA== > [10-(2,3,4,7,8,9,19-heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl)-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-11-yl] 3,4,5-trihydroxybenzoate > 3,4,5-trihydroxybenzoic acid [10-(2,3,4,7,8,9,19-heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl)-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-11-yl] ester > [10-(2,3,4,7,8,9,19-heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl)-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-11-yl] 3,4,5-trihydroxybenzoate > [10-(2,3,4,7,8,9,19-heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl)-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-11-yl] 3,4,5-trihydroxybenzoate > [10-[2,3,4,7,8,9,19-heptakis(oxidanyl)-12,17-bis(oxidanylidene)-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl]-3,4,5,17,18,19-hexakis(oxidanyl)-8,14-bis(oxidanylidene)-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-11-yl] 3,4,5-tris(oxidanyl)benzoate > 3,4,5-trihydroxybenzoic acid [10-(2,3,4,7,8,9,19-heptahydroxy-12,17-diketo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl)-3,4,5,17,18,19-hexahydroxy-8,14-diketo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-11-yl] ester > InChI=1S/C41H28O26/c42-11-1-7(2-12(43)23(11)47)37(58)64-16-6-63-38(59)8-3-13(44)24(48)27(51)17(8)18-9(4-14(45)25(49)28(18)52)39(60)65-34(16)36-35-32(56)22-21(41(62)66-35)20(30(54)33(57)31(22)55)19-10(40(61)67-36)5-15(46)26(50)29(19)53/h1-5,16,32,34-36,42-57H,6H2 > MMQXBTULXAEKQE-UHFFFAOYSA-N > 1.2 > 936.08688099 > C41H28O26 > 936.6 > C1C(C(OC(=O)C2=CC(=C(C(=C2C3=C(C(=C(C=C3C(=O)O1)O)O)O)O)O)O)C4C5C(C6=C(C(=C(C(=C6C(=O)O5)C7=C(C(=C(C=C7C(=O)O4)O)O)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O > C1C(C(OC(=O)C2=CC(=C(C(=C2C3=C(C(=C(C=C3C(=O)O1)O)O)O)O)O)O)C4C5C(C6=C(C(=C(C(=C6C(=O)O5)C7=C(C(=C(C=C7C(=O)O4)O)O)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O > 455 > 936.08688099 > 0 > 67 > 0 > 5 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 27 1 3 28 2 3 29 3 3 31 33 8 31 36 8 33 34 8 34 39 8 36 42 8 38 40 8 38 44 8 39 42 8 30 4 3 40 45 8 44 47 8 45 49 8 46 50 8 46 54 8 47 49 8 32 5 3 50 56 8 52 53 8 52 57 8 53 59 8 54 58 8 55 62 8 55 63 8 56 60 8 57 61 8 58 60 8 59 64 8 61 64 8 62 66 8 63 65 8 65 67 8 66 67 8 $$$$