5388496 -OEChem-04262400082D 78 85 0 1 0 0 0 0 0999 V2000 6.8264 -3.1714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2254 -1.7556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8083 -2.9835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9204 -4.7453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9523 -4.8815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4251 -1.3037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2209 3.9978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3390 0.4285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7851 -1.5261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8356 0.5285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1461 -0.5060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7752 4.0275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5041 4.9947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9627 -0.7149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2127 2.4970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9530 3.9978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5689 0.4527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4905 3.2963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9068 1.4862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9028 -0.4867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6065 2.7110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1478 0.7922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2804 -2.2052 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.8095 -3.0342 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2363 -2.2774 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.3669 -3.9124 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3858 -3.9804 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2384 -1.9624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2209 1.9978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3549 2.4978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9402 -0.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0870 2.4978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9464 2.0030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4449 1.9909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3255 -0.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3276 1.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6056 2.5191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2370 0.9562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3549 3.4978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0065 1.6611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9598 1.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7632 0.6432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9095 -0.3930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1141 0.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6312 3.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4967 3.9947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0870 3.4978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4369 0.9493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1922 1.4972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1880 -0.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2760 2.3196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8138 0.3862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0367 0.9933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0347 0.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3368 2.0278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1081 1.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8763 -2.3761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0936 -2.4831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6696 -2.5288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9858 -3.8753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7337 -4.4935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 -2.2549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5319 -1.4163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1451 -3.5041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6448 -5.3007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3341 -4.9281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1982 -1.1105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6586 -0.2140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3663 0.8490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6193 -0.8330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7874 4.6474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0433 5.3007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7558 2.7960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0326 3.7143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4412 1.1718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9053 -1.1067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0133 2.5306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 27 1 0 0 0 0 2 23 1 0 0 0 0 2 31 1 0 0 0 0 3 24 1 0 0 0 0 3 64 1 0 0 0 0 4 26 1 0 0 0 0 4 65 1 0 0 0 0 5 27 1 0 0 0 0 5 66 1 0 0 0 0 6 28 1 0 0 0 0 6 43 1 0 0 0 0 7 39 1 0 0 0 0 7 47 1 0 0 0 0 8 38 1 0 0 0 0 8 48 1 0 0 0 0 9 31 2 0 0 0 0 10 41 1 0 0 0 0 10 69 1 0 0 0 0 11 44 1 0 0 0 0 11 70 1 0 0 0 0 12 45 1 0 0 0 0 12 71 1 0 0 0 0 13 46 1 0 0 0 0 13 72 1 0 0 0 0 14 43 2 0 0 0 0 15 49 1 0 0 0 0 15 73 1 0 0 0 0 16 47 2 0 0 0 0 17 48 2 0 0 0 0 18 51 1 0 0 0 0 18 74 1 0 0 0 0 19 53 1 0 0 0 0 19 75 1 0 0 0 0 20 54 1 0 0 0 0 20 76 1 0 0 0 0 21 55 1 0 0 0 0 21 77 1 0 0 0 0 22 56 1 0 0 0 0 22 78 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 57 1 0 0 0 0 24 26 1 0 0 0 0 24 58 1 0 0 0 0 25 28 1 0 0 0 0 25 59 1 0 0 0 0 26 27 1 0 0 0 0 26 60 1 0 0 0 0 27 61 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 29 30 1 0 0 0 0 29 32 2 0 0 0 0 29 38 1 0 0 0 0 30 34 2 0 0 0 0 30 39 1 0 0 0 0 31 35 1 0 0 0 0 32 33 1 0 0 0 0 32 47 1 0 0 0 0 33 36 1 0 0 0 0 33 41 2 0 0 0 0 34 37 1 0 0 0 0 34 48 1 0 0 0 0 35 36 1 0 0 0 0 35 50 2 0 0 0 0 36 49 2 0 0 0 0 37 40 1 0 0 0 0 37 45 2 0 0 0 0 38 44 2 0 0 0 0 39 46 2 0 0 0 0 40 42 1 0 0 0 0 40 51 2 0 0 0 0 41 44 1 0 0 0 0 42 43 1 0 0 0 0 42 52 2 0 0 0 0 45 46 1 0 0 0 0 49 53 1 0 0 0 0 50 54 1 0 0 0 0 50 67 1 0 0 0 0 51 55 1 0 0 0 0 52 56 1 0 0 0 0 52 68 1 0 0 0 0 53 54 2 0 0 0 0 55 56 2 0 0 0 0 M END > 5388496 > 1 > 1580 > 22 > 13 > 0 > AAADceB8PgAAAAAAAAAAAAAAAAAAAAAAAAA0aNGCAAAAAACRVAAAGgAACAAADBSwmAMwDoAABgCIAiDSCAACCAAkIAAAiAEGiMgdNzKGNBqCeyOlwBUPuYfK7PzOoAADCAAYQABAAAYQADCAAAAAAAAAAA== > 3,4,5,11,12,13,21,22,23,26,27,38,39-tridecahydroxy-9,14,17,29,36-pentaoxaoctacyclo[29.8.0.02,7.010,15.019,24.025,34.028,33.032,37]nonatriaconta-1(39),2,4,6,19,21,23,25,27,31,33,37-dodecaene-8,18,30,35-tetrone > 3,4,5,11,12,13,21,22,23,26,27,38,39-tridecahydroxy-9,14,17,29,36-pentaoxaoctacyclo[29.8.0.02,7.010,15.019,24.025,34.028,33.032,37]nonatriaconta-1(39),2,4,6,19,21,23,25,27,31,33,37-dodecaene-8,18,30,35-tetrone > 3,4,5,11,12,13,21,22,23,26,27,38,39-tridecahydroxy-9,14,17,29,36-pentaoxaoctacyclo[29.8.0.02,7.010,15.019,24.025,34.028,33.032,37]nonatriaconta-1(39),2,4,6,19,21,23,25,27,31,33,37-dodecaene-8,18,30,35-tetrone > 3,4,5,11,12,13,21,22,23,26,27,38,39-tridecahydroxy-9,14,17,29,36-pentaoxaoctacyclo[29.8.0.02,7.010,15.019,24.025,34.028,33.032,37]nonatriaconta-1(39),2,4,6,19,21,23,25,27,31,33,37-dodecaene-8,18,30,35-tetrone > 3,4,5,11,12,13,21,22,23,26,27,38,39-tridecakis(oxidanyl)-9,14,17,29,36-pentaoxaoctacyclo[29.8.0.02,7.010,15.019,24.025,34.028,33.032,37]nonatriaconta-1(39),2,4,6,19,21,23,25,27,31,33,37-dodecaene-8,18,30,35-tetrone > 3,4,5,11,12,13,21,22,23,26,27,38,39-tridecahydroxy-9,14,17,29,36-pentaoxaoctacyclo[29.8.0.02,7.010,15.019,24.025,34.028,33.032,37]nonatriaconta-1(39),2,4,6,19,21,23,25,27,31,33,37-dodecaene-8,18,30,35-diquinone > InChI=1S/C34H22O22/c35-6-1-4-9(19(39)17(6)37)11-15-13-14-16(33(50)56-28(13)23(43)21(11)41)12(22(42)24(44)29(14)55-32(15)49)10-5(2-7(36)18(38)20(10)40)31(48)54-27-8(3-52-30(4)47)53-34(51)26(46)25(27)45/h1-2,8,25-27,34-46,51H,3H2 > IQHIEHIKNWLKFB-UHFFFAOYSA-N > -0.3 > 782.06027233 > C34H22O22 > 782.5 > C1C2C(C(C(C(O2)O)O)O)OC(=O)C3=CC(=C(C(=C3C4=C(C(=C5C6=C4C(=O)OC7=C(C(=C(C8=C(C(=C(C=C8C(=O)O1)O)O)O)C(=C67)C(=O)O5)O)O)O)O)O)O)O > C1C2C(C(C(C(O2)O)O)O)OC(=O)C3=CC(=C(C(=C3C4=C(C(=C5C6=C4C(=O)OC7=C(C(=C(C8=C(C(=C(C=C8C(=O)O1)O)O)O)C(=C67)C(=O)O5)O)O)O)O)O)O)O > 377 > 782.06027233 > 0 > 56 > 0 > 5 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 23 2 3 25 28 3 29 30 8 29 32 8 29 38 8 24 3 3 30 34 8 30 39 8 32 33 8 32 47 8 33 41 8 34 37 8 34 48 8 35 36 8 35 50 8 36 49 8 37 45 8 38 44 8 39 46 8 26 4 3 40 42 8 40 51 8 41 44 8 42 52 8 45 46 8 49 53 8 27 5 3 50 54 8 51 55 8 52 56 8 53 54 8 55 56 8 7 39 8 7 47 8 8 38 8 8 48 8 $$$$