16129869 -OEChem-04252407272D 106116 0 1 0 0 0 0 0999 V2000 3.3926 0.2662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5334 0.5470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0427 1.8146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3107 2.8146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5405 1.8177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9535 -2.5850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0665 1.2936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0825 0.3298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2699 -6.0110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7598 -4.9595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1767 4.3146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0342 -4.1779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7590 -2.0939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5149 -1.9586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6886 -3.4529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6572 4.3492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5862 -5.6876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0268 5.2350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1662 -5.5357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5470 -4.9686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3688 1.0697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1343 -0.1343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2218 -6.3952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2662 -5.2705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5748 1.7899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4389 3.3388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6458 5.3834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8826 6.6748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5761 -4.5015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2077 -3.1454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1928 0.2731 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1767 1.3146 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3107 1.8146 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2947 -0.2547 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4007 1.3078 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4031 -1.2926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8813 0.3109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9088 1.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1767 3.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0490 -0.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7748 1.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0427 2.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8745 -1.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7748 2.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9088 3.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4750 -5.3882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2431 -2.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4452 -6.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1034 -4.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0084 -3.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1569 -6.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7892 -6.7080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5601 -5.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5321 -6.1677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7340 -4.7276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4127 -6.5118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5615 0.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2612 -2.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6687 1.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8288 -1.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6314 3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6469 -3.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6687 3.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1146 4.8254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9945 -6.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5511 -5.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2028 -6.5351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1442 -5.7492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5500 0.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1471 -0.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4395 -5.7723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9472 -4.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5748 1.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5748 2.8354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5282 4.9130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8487 5.6754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6215 -4.7994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9184 -4.1027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4149 -0.3058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7160 1.0088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7761 2.1287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6835 -0.3588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4090 1.9277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1265 -0.7378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9404 -1.6019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2432 0.9765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6616 0.6600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1287 3.0289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5567 -3.8120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1390 -2.0955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1182 -1.8158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5449 -2.8498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9498 -5.1854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1905 4.6654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0897 5.8518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7858 -5.5130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9308 0.8080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5259 -0.6150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3452 -7.0028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8868 2.3257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4365 3.9588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6248 6.0030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3564 7.0028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7121 -3.8966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7833 -2.6934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 31 1 0 0 0 0 2 37 1 0 0 0 0 3 32 1 0 0 0 0 3 38 1 0 0 0 0 4 33 1 0 0 0 0 4 39 1 0 0 0 0 5 35 1 0 0 0 0 5 86 1 0 0 0 0 6 36 1 0 0 0 0 6 50 1 0 0 0 0 7 37 2 0 0 0 0 8 38 2 0 0 0 0 9 56 1 0 0 0 0 9 66 1 0 0 0 0 10 55 1 0 0 0 0 10 68 1 0 0 0 0 11 39 2 0 0 0 0 12 50 2 0 0 0 0 13 58 1 0 0 0 0 13 91 1 0 0 0 0 14 60 1 0 0 0 0 14 92 1 0 0 0 0 15 62 1 0 0 0 0 15 93 1 0 0 0 0 16 63 1 0 0 0 0 16 95 1 0 0 0 0 17 65 1 0 0 0 0 17 94 1 0 0 0 0 18 64 1 0 0 0 0 18 96 1 0 0 0 0 19 67 1 0 0 0 0 19 97 1 0 0 0 0 20 66 2 0 0 0 0 21 69 1 0 0 0 0 21 98 1 0 0 0 0 22 70 1 0 0 0 0 22 99 1 0 0 0 0 23 71 1 0 0 0 0 23100 1 0 0 0 0 24 68 2 0 0 0 0 25 73 1 0 0 0 0 25101 1 0 0 0 0 26 74 1 0 0 0 0 26102 1 0 0 0 0 27 75 1 0 0 0 0 27103 1 0 0 0 0 28 76 1 0 0 0 0 28104 1 0 0 0 0 29 77 1 0 0 0 0 29105 1 0 0 0 0 30 78 1 0 0 0 0 30106 1 0 0 0 0 31 32 1 0 0 0 0 31 34 1 0 0 0 0 31 79 1 0 0 0 0 32 33 1 0 0 0 0 32 80 1 0 0 0 0 33 35 1 0 0 0 0 33 81 1 0 0 0 0 34 36 1 0 0 0 0 34 82 1 0 0 0 0 35 83 1 0 0 0 0 36 84 1 0 0 0 0 36 85 1 0 0 0 0 37 40 1 0 0 0 0 38 41 1 0 0 0 0 39 42 1 0 0 0 0 40 43 1 0 0 0 0 40 57 2 0 0 0 0 41 44 1 0 0 0 0 41 59 2 0 0 0 0 42 45 1 0 0 0 0 42 61 2 0 0 0 0 43 47 1 0 0 0 0 43 60 2 0 0 0 0 44 45 1 0 0 0 0 44 63 2 0 0 0 0 45 64 2 0 0 0 0 46 48 1 0 0 0 0 46 49 2 0 0 0 0 46 55 1 0 0 0 0 47 49 1 0 0 0 0 47 58 2 0 0 0 0 48 51 2 0 0 0 0 48 56 1 0 0 0 0 49 66 1 0 0 0 0 50 53 1 0 0 0 0 51 52 1 0 0 0 0 51 68 1 0 0 0 0 52 54 1 0 0 0 0 52 65 2 0 0 0 0 53 54 1 0 0 0 0 53 72 2 0 0 0 0 54 71 2 0 0 0 0 55 62 2 0 0 0 0 56 67 2 0 0 0 0 57 69 1 0 0 0 0 57 87 1 0 0 0 0 58 62 1 0 0 0 0 59 73 1 0 0 0 0 59 88 1 0 0 0 0 60 70 1 0 0 0 0 61 75 1 0 0 0 0 61 89 1 0 0 0 0 63 74 1 0 0 0 0 64 76 1 0 0 0 0 65 67 1 0 0 0 0 69 70 2 0 0 0 0 71 77 1 0 0 0 0 72 78 1 0 0 0 0 72 90 1 0 0 0 0 73 74 2 0 0 0 0 75 76 2 0 0 0 0 77 78 2 0 0 0 0 M END > 16129869 > 1 > 2380 > 30 > 17 > 0 > AAADceB8PgAAAAAAAAAAAAAAAAAAAAAAAAA0aNGDAAAAAACRVAAAGgAACAAADBSwmAMwDoAABgCIAiDSCAACCAAkIAAAiAEGiMgdNzKGNBqCeyOlwBUPuYfK7PzOoAADCAAYQABAAAYQADCAAAAAAAAAAA== > 6,7,8,11,12,23,24,27,28,29,37,43,44,45,48,49,50-heptadecahydroxy-2,14,21,33,36,39,54-heptaoxaundecacyclo[33.20.0.04,9.010,19.013,18.016,25.017,22.026,31.038,55.041,46.047,52]pentapentaconta-4,6,8,10,12,16,18,22,24,26,28,30,41,43,45,47,49,51-octadecaene-3,15,20,32,40,53-hexone > 6,7,8,11,12,23,24,27,28,29,37,43,44,45,48,49,50-heptadecahydroxy-2,14,21,33,36,39,54-heptaoxaundecacyclo[33.20.0.04,9.010,19.013,18.016,25.017,22.026,31.038,55.041,46.047,52]pentapentaconta-4,6,8,10,12,16,18,22,24,26,28,30,41,43,45,47,49,51-octadecaene-3,15,20,32,40,53-hexone > 6,7,8,11,12,23,24,27,28,29,37,43,44,45,48,49,50-heptadecahydroxy-2,14,21,33,36,39,54-heptaoxaundecacyclo[33.20.0.04,9.010,19.013,18.016,25.017,22.026,31.038,55.041,46.047,52]pentapentaconta-4,6,8,10,12,16,18,22,24,26,28,30,41,43,45,47,49,51-octadecaene-3,15,20,32,40,53-hexone > 6,7,8,11,12,23,24,27,28,29,37,43,44,45,48,49,50-heptadecahydroxy-2,14,21,33,36,39,54-heptaoxaundecacyclo[33.20.0.04,9.010,19.013,18.016,25.017,22.026,31.038,55.041,46.047,52]pentapentaconta-4,6,8,10,12,16,18,22,24,26,28,30,41,43,45,47,49,51-octadecaene-3,15,20,32,40,53-hexone > 6,7,8,11,12,23,24,27,28,29,37,43,44,45,48,49,50-heptadecakis(oxidanyl)-2,14,21,33,36,39,54-heptaoxaundecacyclo[33.20.0.04,9.010,19.013,18.016,25.017,22.026,31.038,55.041,46.047,52]pentapentaconta-4,6,8,10,12,16,18,22,24,26,28,30,41,43,45,47,49,51-octadecaene-3,15,20,32,40,53-hexone > 6,7,8,11,12,23,24,27,28,29,37,43,44,45,48,49,50-heptadecahydroxy-2,14,21,33,36,39,54-heptaoxaundecacyclo[33.20.0.04,9.010,19.013,18.016,25.017,22.026,31.038,55.041,46.047,52]pentapentaconta-4,6,8,10,12,16,18,22,24,26,28,30,41,43,45,47,49,51-octadecaene-3,15,20,32,40,53-triquinone > InChI=1S/C48H28O30/c49-10-1-6-17(31(59)27(10)55)19-23-21-22-24(47(70)76-38(21)35(63)33(19)61)20(34(62)36(64)39(22)75-46(23)69)18-9(4-13(52)28(56)32(18)60)43(66)74-37-14(5-72-42(6)65)73-48(71)41-40(37)77-44(67)7-2-11(50)25(53)29(57)15(7)16-8(45(68)78-41)3-12(51)26(54)30(16)58/h1-4,14,37,40-41,48-64,71H,5H2 > ZJVUMAFASBFUBG-UHFFFAOYSA-N > 1.7 > 1084.06653947 > C48H28O30 > 1084.7 > C1C2C(C3C(C(O2)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C8C9=C7C(=O)OC2=C(C(=C(C3=C(C(=C(C=C3C(=O)O1)O)O)O)C(=C92)C(=O)O8)O)O)O)O)O)O)O > C1C2C(C3C(C(O2)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C8C9=C7C(=O)OC2=C(C(=C(C3=C(C(=C(C=C3C(=O)O1)O)O)O)C(=C92)C(=O)O8)O)O)O)O)O)O)O > 511 > 1084.06653947 > 0 > 78 > 0 > 5 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 55 8 10 68 8 31 2 3 32 3 3 34 36 3 33 4 3 40 43 8 40 57 8 41 44 8 41 59 8 42 45 8 42 61 8 43 60 8 44 63 8 45 64 8 46 48 8 46 49 8 46 55 8 47 49 8 47 58 8 48 51 8 48 56 8 49 66 8 35 5 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