5320800 -OEChem-04182403092D 97103 0 1 0 0 0 0 0999 V2000 7.0649 0.1416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4313 1.1626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9654 -1.3765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7229 2.0209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6525 1.3441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8264 0.1967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0385 2.6285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4654 -2.2425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8541 3.5218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0601 -0.2835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5676 1.1626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3033 4.5084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8625 4.6583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6612 5.2733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6827 5.8034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0204 5.0901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5720 3.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4654 -3.9745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4654 -5.7066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4481 -0.3398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0210 2.7466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4654 -5.7066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4749 0.0997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7018 -2.5540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1255 0.7493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8223 -1.8699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1725 0.1967 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4654 -0.5104 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6010 1.0284 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4995 -0.7693 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5922 1.0020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5335 -0.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1725 2.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4654 -2.2425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5616 2.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4654 2.8356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8864 0.7013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5676 1.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4995 3.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8264 2.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9654 -3.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5335 2.8356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4526 2.1115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1204 0.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2132 3.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2144 4.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2795 3.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8163 2.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9514 4.5689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4654 -3.9745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9654 -3.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9452 4.8385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2913 2.6560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5049 1.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2941 -0.9263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1807 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2755 4.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5389 3.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4654 -3.9745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9654 -4.8406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3959 0.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1823 2.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9654 -4.8406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4147 -0.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5281 -1.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2346 1.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5883 -1.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6539 -0.5039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0801 -0.5914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1842 1.4874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4995 -1.6193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6919 1.6140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9716 -0.7725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8435 0.0265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8102 3.3934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3830 1.9391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8454 -3.9745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2754 -2.5716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2589 3.2752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9849 0.7752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8768 -1.1384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0730 1.0111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0348 5.0673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8156 5.2765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2595 5.1105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1194 6.2435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4221 5.2528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1353 3.2016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7754 -4.5115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8454 -5.7066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0005 -0.6214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9886 3.3657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1554 -6.2435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2268 -2.9525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6455 1.0870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9300 -2.4805 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 28 3 1 6 0 0 0 3 34 1 0 0 0 0 29 4 1 6 0 0 0 4 35 1 0 0 0 0 31 5 1 1 0 0 0 5 37 1 0 0 0 0 6 32 1 0 0 0 0 6 38 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 37 2 0 0 0 0 11 38 2 0 0 0 0 12 46 1 0 0 0 0 12 83 1 0 0 0 0 13 47 1 0 0 0 0 13 84 1 0 0 0 0 14 49 1 0 0 0 0 14 85 1 0 0 0 0 15 52 1 0 0 0 0 15 86 1 0 0 0 0 16 57 1 0 0 0 0 16 87 1 0 0 0 0 17 58 1 0 0 0 0 17 88 1 0 0 0 0 18 59 1 0 0 0 0 18 89 1 0 0 0 0 19 60 1 0 0 0 0 19 90 1 0 0 0 0 20 61 1 0 0 0 0 20 91 1 0 0 0 0 21 62 1 0 0 0 0 21 92 1 0 0 0 0 22 63 1 0 0 0 0 22 93 1 0 0 0 0 23 64 1 0 0 0 0 23 94 1 0 0 0 0 24 65 1 0 0 0 0 24 95 1 0 0 0 0 25 66 1 0 0 0 0 25 96 1 0 0 0 0 26 67 1 0 0 0 0 26 97 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 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 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 41 1 0 0 0 0 35 43 1 0 0 0 0 36 39 1 0 0 0 0 36 45 2 0 0 0 0 37 44 1 0 0 0 0 38 40 1 0 0 0 0 39 42 1 0 0 0 0 39 46 2 0 0 0 0 40 42 1 0 0 0 0 40 48 2 0 0 0 0 41 50 2 0 0 0 0 41 51 1 0 0 0 0 42 47 2 0 0 0 0 43 53 2 0 0 0 0 43 54 1 0 0 0 0 44 55 2 0 0 0 0 44 56 1 0 0 0 0 45 49 1 0 0 0 0 45 75 1 0 0 0 0 46 52 1 0 0 0 0 47 57 1 0 0 0 0 48 58 1 0 0 0 0 48 76 1 0 0 0 0 49 52 2 0 0 0 0 50 60 1 0 0 0 0 50 77 1 0 0 0 0 51 59 2 0 0 0 0 51 78 1 0 0 0 0 53 62 1 0 0 0 0 53 79 1 0 0 0 0 54 61 2 0 0 0 0 54 80 1 0 0 0 0 55 65 1 0 0 0 0 55 81 1 0 0 0 0 56 64 2 0 0 0 0 56 82 1 0 0 0 0 57 58 2 0 0 0 0 59 63 1 0 0 0 0 60 63 2 0 0 0 0 61 66 1 0 0 0 0 62 66 2 0 0 0 0 64 67 1 0 0 0 0 65 67 2 0 0 0 0 M END > 5320800 > 1 > 1770 > 26 > 15 > 9 > AAADceB8PgAAAAAAAAAAAAAAAAAAAAAAAAA0YMGDAAAAAAABVAAAGgAACAAADBSwmAMwDoAABgCIAiDSCAACAAAkIAAAiAEGiMgZJzKCNRqicQElwBUPuYfK7PzOoAABCAAYQABAAAIQADCAAAAAAAAAAA== > [(1S,19R,21S,22R,23R)-6,7,8,11,12,13-hexahydroxy-3,16-dioxo-21,22-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-23-yl] 3,4,5-trihydroxybenzoate > 3,4,5-trihydroxybenzoic acid [(1S,19R,21S,22R,23R)-6,7,8,11,12,13-hexahydroxy-3,16-dioxo-21,22-bis[oxo-(3,4,5-trihydroxyphenyl)methoxy]-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-23-yl] ester > [(1S,19R,21S,22R,23R)-6,7,8,11,12,13-hexahydroxy-3,16-dioxo-21,22-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-23-yl] 3,4,5-trihydroxybenzoate > [(1S,19R,21S,22R,23R)-6,7,8,11,12,13-hexahydroxy-3,16-dioxo-21,22-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-23-yl] 3,4,5-trihydroxybenzoate > [(1S,19R,21S,22R,23R)-6,7,8,11,12,13-hexakis(oxidanyl)-3,16-bis(oxidanylidene)-21,22-bis[[3,4,5-tris(oxidanyl)phenyl]carbonyloxy]-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-23-yl] 3,4,5-tris(oxidanyl)benzoate > 3,4,5-trihydroxybenzoic acid [(1S,19R,21S,22R,23R)-21,22-digalloyloxy-6,7,8,11,12,13-hexahydroxy-3,16-diketo-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-23-yl] ester > InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)64-33-23-9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(8-22(49)30(54)32(25)56)40(61)65-34(33)35(66-37(58)11-3-17(44)27(51)18(45)4-11)41(63-23)67-38(59)12-5-19(46)28(52)20(47)6-12/h1-8,23,33-35,41-56H,9H2/t23-,33-,34+,35-,41+/m1/s1 > DPBVYZVSXAZMAY-UUUCSUBKSA-N > 2.4 > 938.10253106 > C41H30O26 > 938.7 > C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O1)O)O)O)O)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O > C1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O1)O)O)O)O)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O > 444 > 938.10253106 > 0 > 67 > 5 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 27 68 6 28 3 6 30 71 6 36 39 8 36 45 8 39 46 8 29 4 6 40 42 8 40 48 8 41 50 8 41 51 8 42 47 8 43 53 8 43 54 8 44 55 8 44 56 8 45 49 8 46 52 8 47 57 8 48 58 8 49 52 8 31 5 5 50 60 8 51 59 8 53 62 8 54 61 8 55 65 8 56 64 8 57 58 8 59 63 8 60 63 8 61 66 8 62 66 8 64 67 8 65 67 8 $$$$