16129720 -OEChem-05142405582D 106116 0 1 0 0 0 0 0999 V2000 8.6195 -1.9713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6826 -1.9848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2254 -0.0174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3121 -1.6215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1183 -1.5322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4251 0.4345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0793 -3.1929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8820 -3.9641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2006 -6.1033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9801 -5.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3245 -2.8888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2209 5.7360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3390 2.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0176 -6.1039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7851 0.2121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2082 -6.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6771 -5.6147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8356 2.2668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1461 1.2322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7752 5.7657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2127 4.2352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5041 6.7329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9627 1.0233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9530 5.7360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5689 2.1909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9028 1.2516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9068 3.2244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4905 5.0346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6065 4.4492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1478 2.5304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5463 -1.4959 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.5341 -1.4342 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.4171 -2.0676 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.2804 -0.4669 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.3494 -3.1070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2363 -0.5392 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.4596 -3.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4100 -4.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5759 -3.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1895 -3.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2384 -0.2241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3963 -4.5338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2502 -5.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5970 -3.9098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3235 -2.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1399 -4.6481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9402 0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2409 -5.4741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3255 1.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7225 -4.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2209 3.7360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3549 4.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9464 3.7412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3276 2.7666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0870 4.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4449 3.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3530 -5.8205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6056 4.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2370 2.6945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6018 -5.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3549 5.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0065 3.3993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9598 2.7496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9095 1.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7632 2.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1141 2.2317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1880 1.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0870 5.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6312 5.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1922 3.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4967 5.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4369 2.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0347 1.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0367 2.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2760 4.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8138 2.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3368 3.7660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1081 2.8095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7419 -0.9076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9561 -1.2099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4538 -1.4487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8426 -0.7283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7155 -0.8755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 -0.5167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5319 0.3220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8290 -1.9637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5485 -1.7766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2269 -3.9163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 -3.5292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7215 -6.4396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9493 -5.8097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1982 0.6277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9202 -6.7162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6586 1.5242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6320 -7.0389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1861 -5.2362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3663 2.5873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6193 0.9052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7874 6.3856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7558 4.5342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0433 7.0389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9053 0.6316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4412 2.9100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0326 5.4525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0133 4.2689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 1 39 1 0 0 0 0 2 32 1 0 0 0 0 2 45 1 0 0 0 0 3 34 1 0 0 0 0 3 47 1 0 0 0 0 4 33 1 0 0 0 0 4 86 1 0 0 0 0 5 36 1 0 0 0 0 5 87 1 0 0 0 0 6 41 1 0 0 0 0 6 64 1 0 0 0 0 7 40 1 0 0 0 0 7 89 1 0 0 0 0 8 39 2 0 0 0 0 9 43 1 0 0 0 0 9 90 1 0 0 0 0 10 46 1 0 0 0 0 10 91 1 0 0 0 0 11 45 2 0 0 0 0 12 61 1 0 0 0 0 12 68 1 0 0 0 0 13 59 1 0 0 0 0 13 72 1 0 0 0 0 14 48 1 0 0 0 0 14 93 1 0 0 0 0 15 47 2 0 0 0 0 16 57 1 0 0 0 0 16 95 1 0 0 0 0 17 60 1 0 0 0 0 17 96 1 0 0 0 0 18 63 1 0 0 0 0 18 97 1 0 0 0 0 19 66 1 0 0 0 0 19 98 1 0 0 0 0 20 69 1 0 0 0 0 20 99 1 0 0 0 0 21 70 1 0 0 0 0 21100 1 0 0 0 0 22 71 1 0 0 0 0 22101 1 0 0 0 0 23 64 2 0 0 0 0 24 68 2 0 0 0 0 25 72 2 0 0 0 0 26 73 1 0 0 0 0 26102 1 0 0 0 0 27 74 1 0 0 0 0 27103 1 0 0 0 0 28 75 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 33 1 0 0 0 0 31 79 1 0 0 0 0 32 34 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 37 1 0 0 0 0 35 40 2 0 0 0 0 36 41 1 0 0 0 0 36 83 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 38 42 1 0 0 0 0 38 43 1 0 0 0 0 40 46 1 0 0 0 0 41 84 1 0 0 0 0 41 85 1 0 0 0 0 42 44 1 0 0 0 0 42 48 2 0 0 0 0 43 46 2 0 0 0 0 44 45 1 0 0 0 0 44 50 2 0 0 0 0 47 49 1 0 0 0 0 48 57 1 0 0 0 0 49 54 1 0 0 0 0 49 67 2 0 0 0 0 50 60 1 0 0 0 0 50 88 1 0 0 0 0 51 52 1 0 0 0 0 51 55 2 0 0 0 0 51 59 1 0 0 0 0 52 56 2 0 0 0 0 52 61 1 0 0 0 0 53 54 1 0 0 0 0 53 55 1 0 0 0 0 53 63 2 0 0 0 0 54 70 2 0 0 0 0 55 68 1 0 0 0 0 56 58 1 0 0 0 0 56 72 1 0 0 0 0 57 60 2 0 0 0 0 58 62 1 0 0 0 0 58 69 2 0 0 0 0 59 66 2 0 0 0 0 61 71 2 0 0 0 0 62 65 1 0 0 0 0 62 75 2 0 0 0 0 63 66 1 0 0 0 0 64 65 1 0 0 0 0 65 76 2 0 0 0 0 67 73 1 0 0 0 0 67 92 1 0 0 0 0 69 71 1 0 0 0 0 70 74 1 0 0 0 0 73 74 2 0 0 0 0 75 77 1 0 0 0 0 76 78 1 0 0 0 0 76 94 1 0 0 0 0 77 78 2 0 0 0 0 M END > 16129720 > 1 > 2390 > 30 > 18 > 1 > AAADceB8PgAAAAAAAAAAAAAAAAAAAAAAAAA0aNGDAAAAAACRVAAAGgAACAAADBSgmAIwDoAABgCIAiDSCAACCAAkIAAAiAEGiMgNNzKGNBqCeyOlwBULuYfK7PzOoAADCAAYQABAAAYQADCAAAAAAAAAAA== > 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)-3,4,5,11,17,18,19,22,23,34,35-undecahydroxy-9,13,25,32-tetraoxaheptacyclo[25.8.0.02,7.015,20.021,30.024,29.028,33]pentatriaconta-1(35),2,4,6,15,17,19,21,23,27,29,33-dodecaene-8,14,26,31-tetrone > 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)-3,4,5,11,17,18,19,22,23,34,35-undecahydroxy-9,13,25,32-tetraoxaheptacyclo[25.8.0.02,7.015,20.021,30.024,29.028,33]pentatriaconta-1(35),2,4,6,15,17,19,21,23,27,29,33-dodecaene-8,14,26,31-tetrone > 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)-3,4,5,11,17,18,19,22,23,34,35-undecahydroxy-9,13,25,32-tetraoxaheptacyclo[25.8.0.02,7.015,20.021,30.024,29.028,33]pentatriaconta-1(35),2,4,6,15,17,19,21,23,27,29,33-dodecaene-8,14,26,31-tetrone > 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)-3,4,5,11,17,18,19,22,23,34,35-undecahydroxy-9,13,25,32-tetraoxaheptacyclo[25.8.0.02,7.015,20.021,30.024,29.028,33]pentatriaconta-1(35),2,4,6,15,17,19,21,23,27,29,33-dodecaene-8,14,26,31-tetrone > 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]-3,4,5,11,17,18,19,22,23,34,35-undecakis(oxidanyl)-9,13,25,32-tetraoxaheptacyclo[25.8.0.02,7.015,20.021,30.024,29.028,33]pentatriaconta-1(35),2,4,6,15,17,19,21,23,27,29,33-dodecaene-8,14,26,31-tetrone > 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)-3,4,5,11,17,18,19,22,23,34,35-undecahydroxy-9,13,25,32-tetraoxaheptacyclo[25.8.0.02,7.015,20.021,30.024,29.028,33]pentatriaconta-1(35),2,4,6,15,17,19,21,23,27,29,33-dodecaene-8,14,26,31-diquinone > InChI=1S/C48H28O30/c49-8-1-5-12(27(56)24(8)53)15-20-18-19-21(47(71)76-39(18)36(65)31(15)60)16(32(61)37(66)40(19)75-46(20)70)13-6(2-9(50)25(54)28(13)57)44(68)74-38(11(52)4-73-43(5)67)42-41-34(63)23-22(48(72)77-41)17(30(59)35(64)33(23)62)14-7(45(69)78-42)3-10(51)26(55)29(14)58/h1-3,11,34,38,41-42,49-66H,4H2 > FESAEKUFXJFTFG-UHFFFAOYSA-N > 0.9 > 1084.06653947 > C48H28O30 > 1084.7 > C1C(C(OC(=O)C2=CC(=C(C(=C2C3=C(C(=C4C5=C3C(=O)OC6=C(C(=C(C7=C(C(=C(C=C7C(=O)O1)O)O)O)C(=C56)C(=O)O4)O)O)O)O)O)O)O)C8C9C(C1=C(C(=C(C(=C1C(=O)O9)C1=C(C(=C(C=C1C(=O)O8)O)O)O)O)O)O)O)O > C1C(C(OC(=O)C2=CC(=C(C(=C2C3=C(C(=C4C5=C3C(=O)OC6=C(C(=C(C7=C(C(=C(C=C7C(=O)O1)O)O)O)C(=C56)C(=O)O4)O)O)O)O)O)O)O)C8C9C(C1=C(C(=C(C(=C1C(=O)O9)C1=C(C(=C(C=C1C(=O)O8)O)O)O)O)O)O)O)O > 522 > 1084.06653947 > 0 > 78 > 0 > 5 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 31 1 3 12 61 8 12 68 8 13 59 8 13 72 8 32 2 3 34 3 3 35 37 8 35 40 8 37 38 8 38 43 8 33 4 3 40 46 8 42 44 8 42 48 8 43 46 8 44 50 8 48 57 8 49 54 8 49 67 8 36 5 3 50 60 8 51 52 8 51 55 8 51 59 8 52 56 8 52 61 8 53 55 8 53 63 8 54 70 8 55 68 8 56 58 8 56 72 8 57 60 8 58 69 8 59 66 8 61 71 8 62 65 8 62 75 8 63 66 8 65 76 8 67 73 8 69 71 8 70 74 8 73 74 8 75 77 8 76 78 8 77 78 8 $$$$