3002104 -OEChem-05142401512D 93101 0 1 0 0 0 0 0999 V2000 4.3454 -0.9612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2035 -1.6245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4106 0.9839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3238 -1.0859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1353 -1.1069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8765 1.2733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6707 -1.0800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9224 -1.7130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2843 -4.4651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3913 -2.5585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4842 -1.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5869 -5.0088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0080 -5.6165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1164 -6.3321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9068 1.7628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6176 -3.0387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7799 -5.4565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9832 2.9587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7624 -4.9416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2926 -2.9631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1622 4.8845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0228 5.3814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3804 1.8258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3804 3.8741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7887 6.4192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5626 5.3950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2154 -0.4802 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2035 -0.5892 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9106 0.1179 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3989 -1.4663 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8765 -0.1410 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9618 -2.3691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0745 -2.8367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7729 -3.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9122 -1.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7515 -3.7191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5836 0.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0518 -2.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6518 -3.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9106 -2.3316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7944 -3.6050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3786 -2.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3589 -4.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5361 -4.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3248 -3.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9106 1.8499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2252 -4.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8765 -2.0728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5836 -2.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2913 -5.3475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0445 2.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0499 -4.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0445 3.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5855 -2.4948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7766 2.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9106 3.8499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7766 3.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0581 -4.2318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3277 -3.2257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1506 1.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1506 3.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8945 4.8914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2445 2.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6866 3.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2445 3.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7926 5.4192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6946 4.8984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0937 0.1277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7763 -0.8265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0710 -0.4810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6347 -2.0397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4754 -0.3014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0220 0.1277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0220 1.0046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8147 -1.4646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0561 -0.9980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6644 -4.4579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7390 -1.8942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4616 -5.6160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1578 1.1953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9165 -6.2297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5908 -6.7312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2199 3.5406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2132 -5.9000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3619 -4.7835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4507 -2.3636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6288 5.2007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0156 6.0013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8423 2.1337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8423 3.5661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3244 6.7312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0983 5.0830 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 40 1 0 0 0 0 3 29 1 0 0 0 0 3 46 1 0 0 0 0 30 4 1 6 0 0 0 4 75 1 0 0 0 0 5 31 1 0 0 0 0 5 48 1 0 0 0 0 6 37 1 0 0 0 0 6 55 1 0 0 0 0 7 38 1 0 0 0 0 7 76 1 0 0 0 0 8 35 2 0 0 0 0 9 41 1 0 0 0 0 9 77 1 0 0 0 0 10 42 1 0 0 0 0 10 79 1 0 0 0 0 11 40 2 0 0 0 0 12 44 1 0 0 0 0 12 80 1 0 0 0 0 13 47 1 0 0 0 0 13 82 1 0 0 0 0 14 50 1 0 0 0 0 14 83 1 0 0 0 0 15 46 2 0 0 0 0 16 48 2 0 0 0 0 17 52 1 0 0 0 0 17 85 1 0 0 0 0 18 55 2 0 0 0 0 19 58 1 0 0 0 0 19 86 1 0 0 0 0 20 59 1 0 0 0 0 20 87 1 0 0 0 0 21 61 1 0 0 0 0 21 88 1 0 0 0 0 22 62 1 0 0 0 0 22 89 1 0 0 0 0 23 63 1 0 0 0 0 23 90 1 0 0 0 0 24 65 1 0 0 0 0 24 91 1 0 0 0 0 25 66 1 0 0 0 0 25 92 1 0 0 0 0 26 67 1 0 0 0 0 26 93 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 31 1 0 0 0 0 29 70 1 0 0 0 0 30 32 1 0 0 0 0 30 71 1 0 0 0 0 31 37 1 0 0 0 0 31 72 1 0 0 0 0 32 33 1 0 0 0 0 32 38 2 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 34 36 1 0 0 0 0 34 41 1 0 0 0 0 36 39 1 0 0 0 0 36 44 2 0 0 0 0 37 73 1 0 0 0 0 37 74 1 0 0 0 0 38 42 1 0 0 0 0 39 40 1 0 0 0 0 39 43 2 0 0 0 0 41 42 2 0 0 0 0 43 45 1 0 0 0 0 43 47 1 0 0 0 0 44 50 1 0 0 0 0 45 49 1 0 0 0 0 45 52 2 0 0 0 0 46 51 1 0 0 0 0 47 50 2 0 0 0 0 48 49 1 0 0 0 0 49 54 2 0 0 0 0 51 53 1 0 0 0 0 51 60 2 0 0 0 0 52 58 1 0 0 0 0 53 56 1 0 0 0 0 53 61 2 0 0 0 0 54 59 1 0 0 0 0 54 78 1 0 0 0 0 55 57 1 0 0 0 0 56 57 1 0 0 0 0 56 62 2 0 0 0 0 57 64 2 0 0 0 0 58 59 2 0 0 0 0 60 63 1 0 0 0 0 60 81 1 0 0 0 0 61 65 1 0 0 0 0 62 66 1 0 0 0 0 63 65 2 0 0 0 0 64 67 1 0 0 0 0 64 84 1 0 0 0 0 66 67 2 0 0 0 0 M END > 3002104 > 1 > 1960 > 26 > 16 > 0 > AAADceB8PgAAAAAAAAAAAAAAAAAAAAAAAAA0YMGDAAAAAACRVAAAGgAACAAADBSgmAIwDoAABgCIAiDSCAACAAAkIAAAiAEGiMgJNzKCNBqCcQElwBULuYfK7PzOoAADCAAYQABAAAYQADCAAAAAAAAAAA== > (46R)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37,46-hexadecahydroxy-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaene-4,17,22,40,44-pentone > (46R)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37,46-hexadecahydroxy-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaene-4,17,22,40,44-pentone > (46R)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37,46-hexadecahydroxy-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaene-4,17,22,40,44-pentone > (46R)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37,46-hexadecahydroxy-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaene-4,17,22,40,44-pentone > (46R)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37,46-hexadecakis(oxidanyl)-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaene-4,17,22,40,44-pentone > (46R)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37,46-hexadecahydroxy-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaene-4,17,22,40,44-pentone > InChI=1S/C41H26O26/c42-8-1-5-12(24(48)21(8)45)13-6(2-9(43)22(46)25(13)49)39(60)65-34-11(4-63-37(5)58)64-38(59)7-3-10(44)23(47)26(50)14(7)15-18-16(28(52)32(56)27(15)51)17-19-20(30(54)33(57)29(17)53)31(55)35(66-41(19)62)36(34)67-40(18)61/h1-3,11,31,34-36,42-57H,4H2/t11?,31-,34?,35?,36?/m1/s1 > UDYKDZHZAKSYCO-LSSWMSPRSA-N > 0.9 > 934.07123093 > C41H26O26 > 934.6 > C1C2C(C3C4C(C5=C(C(=C(C(=C5C(=O)O4)C6=C(C(=C(C(=C6C(=O)O3)C7=C(C(=C(C=C7C(=O)O2)O)O)O)O)O)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O1)O)O)O)O)O)O > C1C2C(C3C4[C@@H](C5=C(C(=C(C(=C5C(=O)O4)C6=C(C(=C(C(=C6C(=O)O3)C7=C(C(=C(C=C7C(=O)O2)O)O)O)O)O)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O1)O)O)O)O)O)O > 455 > 934.07123093 > 0 > 67 > 1 > 4 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 27 1 3 28 2 3 29 3 3 31 37 3 32 33 8 32 38 8 33 34 8 34 41 8 36 39 8 36 44 8 38 42 8 39 43 8 30 4 6 41 42 8 43 47 8 44 50 8 45 49 8 45 52 8 47 50 8 49 54 8 51 53 8 51 60 8 52 58 8 53 61 8 54 59 8 56 57 8 56 62 8 57 64 8 58 59 8 60 63 8 61 65 8 62 66 8 63 65 8 64 67 8 66 67 8 $$$$