73644 -OEChem-05052415042D 95102 0 1 0 0 0 0 0999 V2000 5.9860 0.5419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4266 -1.4525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8680 -1.9996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4494 1.4986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8802 2.0697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8772 -1.9655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4939 -2.8403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8477 -3.6798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5379 2.8697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1481 2.0630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8772 -1.9655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4922 -0.4639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4991 0.4320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3741 -6.3338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6718 -3.6954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3803 -6.3338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9982 -1.9236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7286 3.6757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0275 1.8837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4464 -4.5757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4223 -6.3496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3321 -6.3496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 -4.5757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2686 5.5597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7327 5.5730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9968 6.5663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7780 -0.4927 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8680 -0.9996 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7861 0.5489 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0020 -0.4996 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8840 1.0697 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1360 -0.9996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5180 -1.8406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3772 -2.8315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5466 1.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6270 -1.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6503 1.5178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8772 -3.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0122 2.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3212 -0.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3301 0.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3772 -2.8315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3772 -4.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8772 -3.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3772 -4.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0848 -2.6221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1252 2.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0084 3.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5213 -0.7032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9187 -3.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5320 0.6862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8840 -5.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2817 -2.7746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8703 -5.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0048 -1.8087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3243 2.7610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8357 -3.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0325 1.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4464 -4.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9256 -5.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8724 4.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1404 4.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8287 -5.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3079 -4.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1366 5.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8686 5.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0006 5.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5808 -1.3195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6009 -1.4302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6016 1.3786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2626 -0.0803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4203 1.3807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9755 -0.4007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5160 -0.9996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7075 -3.1141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7556 3.1248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2225 -3.1410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5319 -3.1410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4106 3.7617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6047 3.7509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9217 -0.9111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9355 0.8725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6778 -6.8742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2983 -4.1903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0766 -6.8742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2444 -2.4926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3628 4.1763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2825 2.4488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7585 -5.1114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0423 -6.3519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7121 -6.3519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.0375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7329 5.2476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7303 6.1930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4587 6.8742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 27 1 0 0 0 0 2 33 1 0 0 0 0 3 28 1 0 0 0 0 3 34 1 0 0 0 0 4 29 1 0 0 0 0 4 35 1 0 0 0 0 31 5 1 1 0 0 0 5 39 1 0 0 0 0 6 32 1 0 0 0 0 6 42 1 0 0 0 0 7 33 2 0 0 0 0 8 34 2 0 0 0 0 9 35 2 0 0 0 0 10 39 2 0 0 0 0 11 42 2 0 0 0 0 12 49 1 0 0 0 0 12 81 1 0 0 0 0 13 51 1 0 0 0 0 13 82 1 0 0 0 0 14 52 1 0 0 0 0 14 83 1 0 0 0 0 15 53 1 0 0 0 0 15 84 1 0 0 0 0 16 54 1 0 0 0 0 16 85 1 0 0 0 0 17 55 1 0 0 0 0 17 86 1 0 0 0 0 18 56 1 0 0 0 0 18 87 1 0 0 0 0 19 58 1 0 0 0 0 19 88 1 0 0 0 0 20 59 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 63 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 29 1 0 0 0 0 27 68 1 6 0 0 0 28 30 1 0 0 0 0 28 69 1 1 0 0 0 29 31 1 0 0 0 0 29 70 1 1 0 0 0 30 32 1 0 0 0 0 30 71 1 6 0 0 0 31 72 1 0 0 0 0 32 73 1 0 0 0 0 32 74 1 0 0 0 0 33 36 1 0 0 0 0 34 38 1 0 0 0 0 35 37 1 0 0 0 0 36 40 1 0 0 0 0 36 46 2 0 0 0 0 37 41 1 0 0 0 0 37 47 2 0 0 0 0 38 43 1 0 0 0 0 38 50 2 0 0 0 0 39 48 1 0 0 0 0 40 41 1 0 0 0 0 40 49 2 0 0 0 0 41 51 2 0 0 0 0 42 44 1 0 0 0 0 43 45 1 0 0 0 0 43 52 2 0 0 0 0 44 45 1 0 0 0 0 44 57 2 0 0 0 0 45 54 2 0 0 0 0 46 53 1 0 0 0 0 46 75 1 0 0 0 0 47 56 1 0 0 0 0 47 76 1 0 0 0 0 48 61 2 0 0 0 0 48 62 1 0 0 0 0 49 55 1 0 0 0 0 50 59 1 0 0 0 0 50 77 1 0 0 0 0 51 58 1 0 0 0 0 52 60 1 0 0 0 0 53 55 2 0 0 0 0 54 63 1 0 0 0 0 56 58 2 0 0 0 0 57 64 1 0 0 0 0 57 78 1 0 0 0 0 59 60 2 0 0 0 0 61 66 1 0 0 0 0 61 79 1 0 0 0 0 62 65 2 0 0 0 0 62 80 1 0 0 0 0 63 64 2 0 0 0 0 65 67 1 0 0 0 0 66 67 2 0 0 0 0 M END > 73644 > 1 > 1860 > 26 > 15 > 3 > AAADceB8PgAAAAAAAAAAAAAAAAAAAAAAAAA0YMGDAAAAAACRVAAAGgAACAAADBSwmAMwDoAABgCIAiDSCAACAAAkIAAAiAEGiMgZJzKCNRqicQElwBUPuYfK7PzOoAABCAAYQABAAAIQADCAAAAAAAAAAA== > [(1R,2S,19R,20S,22R)-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-20-yl] 3,4,5-trihydroxybenzoate > 3,4,5-trihydroxybenzoic acid [(1R,2S,19R,20S,22R)-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-20-yl] ester > [(1R,2S,19R,20S,22R)-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-20-yl] 3,4,5-trihydroxybenzoate > [(1R,2S,19R,20S,22R)-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-20-yl] 3,4,5-trihydroxybenzoate > [(1R,2S,19R,20S,22R)-7,8,9,12,13,14,28,29,30,33,34,35-dodecakis(oxidanyl)-4,17,25,38-tetrakis(oxidanylidene)-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-20-yl] 3,4,5-tris(oxidanyl)benzoate > 3,4,5-trihydroxybenzoic acid [(1R,2S,19R,20S,22R)-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraketo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-20-yl] ester > InChI=1S/C41H28O26/c42-13-1-8(2-14(43)24(13)48)36(57)67-41-35-34(65-39(60)11-5-17(46)27(51)31(55)22(11)23-12(40(61)66-35)6-18(47)28(52)32(23)56)33-19(63-41)7-62-37(58)9-3-15(44)25(49)29(53)20(9)21-10(38(59)64-33)4-16(45)26(50)30(21)54/h1-6,19,33-35,41-56H,7H2/t19-,33-,34+,35-,41+/m1/s1 > SWRFKGRMQVLMKA-JIZJWZDPSA-N > 2.1 > 936.08688099 > C41H28O26 > 936.6 > C1C2C(C3C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O3)O)O)O)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)O > C1[C@@H]2[C@H]([C@H]3[C@H]([C@@H](O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O3)O)O)O)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)O > 444 > 936.08688099 > 0 > 67 > 5 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 27 68 6 28 69 5 29 70 5 30 71 6 36 40 8 36 46 8 37 41 8 37 47 8 38 43 8 38 50 8 40 49 8 41 51 8 43 52 8 44 45 8 44 57 8 45 54 8 46 53 8 47 56 8 48 61 8 48 62 8 49 55 8 31 5 5 50 59 8 51 58 8 52 60 8 53 55 8 54 63 8 56 58 8 57 64 8 59 60 8 61 66 8 62 65 8 63 64 8 65 67 8 66 67 8 $$$$