5281667 -OEChem-04242417212D 87 92 0 1 0 0 0 0 0999 V2000 9.5006 0.3522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1601 -1.2124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8346 0.8276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9268 -4.1922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 3.3868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2999 -1.7224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4629 -4.2322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5006 3.3522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5333 1.2574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3667 -1.1478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8308 -1.1478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8921 -1.1924 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9036 -2.1923 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7522 -0.6824 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7754 -2.6823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6356 -2.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6240 -1.1724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7407 0.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0434 -2.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0203 -0.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6346 0.8522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5073 -2.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8346 0.8314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0550 -3.7022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1486 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1717 -2.2123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6346 1.8522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8346 1.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7407 2.3869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1948 -4.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3115 -2.7223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2884 -0.7225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5006 2.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1370 0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3231 -3.7223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3667 0.8522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3667 1.8522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4166 -0.2325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2652 1.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2327 2.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2327 0.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4051 0.7674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2327 3.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2327 -0.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0987 0.8522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0987 3.8522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0987 -1.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9648 0.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9648 -0.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0987 4.8522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9648 3.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3588 -1.5086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6348 -1.7588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4834 -0.2489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3824 -3.1618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1794 -3.1526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1573 -0.8562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2035 -3.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0478 -2.9660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8111 -2.1218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1645 -1.5924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2989 2.1851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2020 -4.8322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7710 -2.4186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6703 1.1036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5267 0.2894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9339 -4.8121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8833 -0.5487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2581 1.8974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4448 1.7696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8433 2.4599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2189 3.7030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7666 -2.0386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4700 -4.8522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6958 3.6622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0987 1.4722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0987 -1.7678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5017 0.6622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8297 -0.8378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7187 4.8522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0987 5.4722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4787 4.8522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6548 2.8153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5017 3.0422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2748 3.8891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3677 -0.8378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 36 1 0 0 0 0 2 20 2 0 0 0 0 3 23 1 0 0 0 0 3 66 1 0 0 0 0 4 24 1 0 0 0 0 4 67 1 0 0 0 0 5 29 1 0 0 0 0 5 72 1 0 0 0 0 6 32 1 0 0 0 0 6 73 1 0 0 0 0 7 35 1 0 0 0 0 7 74 1 0 0 0 0 8 33 2 0 0 0 0 9 42 1 0 0 0 0 9 77 1 0 0 0 0 10 44 1 0 0 0 0 10 80 1 0 0 0 0 11 49 1 0 0 0 0 11 87 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 6 0 0 0 12 52 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 13 53 1 6 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 14 54 1 6 0 0 0 15 16 1 0 0 0 0 15 55 1 0 0 0 0 15 56 1 0 0 0 0 16 17 2 0 0 0 0 16 22 1 0 0 0 0 17 57 1 0 0 0 0 18 21 1 0 0 0 0 18 23 2 0 0 0 0 19 24 2 0 0 0 0 19 26 1 0 0 0 0 20 25 1 0 0 0 0 21 27 2 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 28 1 0 0 0 0 24 30 1 0 0 0 0 25 32 2 0 0 0 0 25 34 1 0 0 0 0 26 31 2 0 0 0 0 26 61 1 0 0 0 0 27 29 1 0 0 0 0 27 33 1 0 0 0 0 28 29 2 0 0 0 0 28 62 1 0 0 0 0 30 35 2 0 0 0 0 30 63 1 0 0 0 0 31 35 1 0 0 0 0 31 64 1 0 0 0 0 32 38 1 0 0 0 0 33 37 1 0 0 0 0 34 39 2 0 0 0 0 34 65 1 0 0 0 0 36 37 2 0 0 0 0 36 41 1 0 0 0 0 37 40 1 0 0 0 0 38 42 2 0 0 0 0 38 68 1 0 0 0 0 39 42 1 0 0 0 0 39 69 1 0 0 0 0 40 43 1 0 0 0 0 40 70 1 0 0 0 0 40 71 1 0 0 0 0 41 44 2 0 0 0 0 41 45 1 0 0 0 0 43 46 2 0 0 0 0 43 75 1 0 0 0 0 44 47 1 0 0 0 0 45 48 2 0 0 0 0 45 76 1 0 0 0 0 46 50 1 0 0 0 0 46 51 1 0 0 0 0 47 49 2 0 0 0 0 47 78 1 0 0 0 0 48 49 1 0 0 0 0 48 79 1 0 0 0 0 50 81 1 0 0 0 0 50 82 1 0 0 0 0 50 83 1 0 0 0 0 51 84 1 0 0 0 0 51 85 1 0 0 0 0 51 86 1 0 0 0 0 M END > 5281667 > 1 > 1380 > 11 > 8 > 7 > AAADcfB8PAAAAAAAAAAAAAAAAAAAAAAAAAAwYMGCAAAAAACBVAAAGgAACAAADQSAmAAyBoAABgCIAqBSAAACCAAkIAAIiAEGCMgMJzaGNRqCeWCl4BUIuYeI7PzOoAACCAAIAABAAAQQABAAAAAAAAAAAA== > 8-[(1S,5R,6S)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methyl-cyclohex-2-en-1-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methylbut-2-enyl)chromen-4-one > 2-(2,4-dihydroxyphenyl)-8-[(1S,5R,6S)-5-(2,4-dihydroxyphenyl)-6-[(2,4-dihydroxyphenyl)-oxomethyl]-3-methyl-1-cyclohex-2-enyl]-5,7-dihydroxy-3-(3-methylbut-2-enyl)-1-benzopyran-4-one > 8-[(1S,5R,6S)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methylbut-2-enyl)chromen-4-one > 8-[(1S,5R,6S)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methylbut-2-enyl)chromen-4-one > 2-[2,4-bis(oxidanyl)phenyl]-8-[(1S,5R,6S)-5-[2,4-bis(oxidanyl)phenyl]-6-[2,4-bis(oxidanyl)phenyl]carbonyl-3-methyl-cyclohex-2-en-1-yl]-3-(3-methylbut-2-enyl)-5,7-bis(oxidanyl)chromen-4-one > 8-[(1S,5R,6S)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methyl-cyclohex-2-en-1-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methylbut-2-enyl)chromone > InChI=1S/C40H36O11/c1-18(2)4-8-26-38(50)36-33(48)17-32(47)35(40(36)51-39(26)25-11-7-22(43)16-31(25)46)28-13-19(3)12-27(23-9-5-20(41)14-29(23)44)34(28)37(49)24-10-6-21(42)15-30(24)45/h4-7,9-11,13-17,27-28,34,41-48H,8,12H2,1-3H3/t27-,28-,34-/m0/s1 > APPXYONGBIXGRO-AIQWNVMPSA-N > 7.3 > 692.22576196 > C40H36O11 > 692.7 > CC1=CC(C(C(C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C=C(C=C3)O)O)C4=C(C=C(C5=C4OC(=C(C5=O)CC=C(C)C)C6=C(C=C(C=C6)O)O)O)O > CC1=C[C@@H]([C@H]([C@@H](C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C=C(C=C3)O)O)C4=C(C=C(C5=C4OC(=C(C5=O)CC=C(C)C)C6=C(C=C(C=C6)O)O)O)O > 205 > 692.22576196 > 0 > 51 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 21 8 1 36 8 12 20 6 13 53 6 14 54 6 18 21 8 18 23 8 19 24 8 19 26 8 21 27 8 23 28 8 24 30 8 25 32 8 25 34 8 26 31 8 27 29 8 27 33 8 28 29 8 30 35 8 31 35 8 32 38 8 33 37 8 34 39 8 36 37 8 38 42 8 39 42 8 41 44 8 41 45 8 44 47 8 45 48 8 47 49 8 48 49 8 $$$$