10794070 -OEChem-09272320522D 92 96 0 1 0 0 0 0 0999 V2000 13.3912 1.0545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2176 0.0362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4231 -0.8053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2176 -2.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6913 -2.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.0956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5394 1.2622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3234 0.0288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9808 -0.4044 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7646 0.7999 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7439 0.0362 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6275 1.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2529 -0.0030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5070 -1.2856 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9808 -1.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5070 -0.4044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7439 -1.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6472 0.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7897 2.7902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7392 2.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2176 -1.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4545 -0.4044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4545 -1.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8991 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6913 0.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6913 -1.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8632 1.6986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.4044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6913 1.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1152 2.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5753 0.9965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8253 1.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8253 2.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9593 3.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6913 3.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9352 0.9859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7921 -0.3089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5530 0.5395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1071 -1.8876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7439 -2.3462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7769 -0.1411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2670 0.4516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4015 2.6897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8903 3.4020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1779 2.8908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0239 2.8134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1884 2.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4545 1.7119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4576 1.8682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3019 0.9285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9034 1.6188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7152 2.5101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2714 3.2664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5152 2.8226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -2.2605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -2.2605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1544 -3.0362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2884 1.2262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.7156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.6656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9809 0.8269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2693 3.5731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4223 3.3462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6493 2.4992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0013 2.4993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2283 3.3462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3813 3.5731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.8106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.8106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 -2.7856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.4056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 -2.7856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -2.2605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -2.2605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.7486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.9756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.8225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -2.7856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.4056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -2.7856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 9 2 1 6 0 0 0 2 22 1 0 0 0 0 3 16 2 0 0 0 0 4 21 2 0 0 0 0 5 26 1 0 0 0 0 5 68 1 0 0 0 0 6 28 1 0 0 0 0 6 70 1 0 0 0 0 7 33 1 0 0 0 0 7 72 1 0 0 0 0 8 33 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 47 1 1 0 0 0 11 16 1 0 0 0 0 11 18 1 6 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 13 48 1 0 0 0 0 13 49 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 50 1 6 0 0 0 15 17 2 0 0 0 0 15 21 1 0 0 0 0 17 51 1 0 0 0 0 18 24 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 20 59 1 0 0 0 0 21 23 1 0 0 0 0 22 23 1 0 0 0 0 22 25 2 0 0 0 0 23 26 2 0 0 0 0 24 27 2 0 0 0 0 24 60 1 0 0 0 0 25 28 1 0 0 0 0 25 30 1 0 0 0 0 26 29 1 0 0 0 0 27 31 1 0 0 0 0 27 33 1 0 0 0 0 28 29 2 0 0 0 0 29 32 1 0 0 0 0 30 34 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 31 63 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 32 35 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 34 36 2 0 0 0 0 34 69 1 0 0 0 0 35 37 2 0 0 0 0 35 71 1 0 0 0 0 36 38 1 0 0 0 0 36 39 1 0 0 0 0 37 40 1 0 0 0 0 37 41 1 0 0 0 0 38 73 1 0 0 0 0 38 74 1 0 0 0 0 38 75 1 0 0 0 0 39 76 1 0 0 0 0 39 77 1 0 0 0 0 39 78 1 0 0 0 0 40 42 1 0 0 0 0 40 79 1 0 0 0 0 40 80 1 0 0 0 0 41 81 1 0 0 0 0 41 82 1 0 0 0 0 41 83 1 0 0 0 0 42 43 1 0 0 0 0 42 84 1 0 0 0 0 42 85 1 0 0 0 0 43 44 2 0 0 0 0 43 86 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 45 87 1 0 0 0 0 45 88 1 0 0 0 0 45 89 1 0 0 0 0 46 90 1 0 0 0 0 46 91 1 0 0 0 0 46 92 1 0 0 0 0 M END > 10794070 > 1 > 1440 > 8 > 3 > 10 > AAADcfB8PAAAAAAAAAAAAAAAAAAAASAAAAA0QIEABIAAAACRAAAAGgAACAAADUSAmAACDoAABgCIAqDSCAICCAAkIAAAiAFECMgNJzaGNR6CeWCl4BUKuYeK7vzuoAACCAAIAADAAAYQADCAAAAAAAAAAA== > (Z)-4-[(1S,2S,13S,15R)-7-[(2E)-3,7-dimethylocta-2,6-dienyl]-6,8-dihydroxy-17,17-dimethyl-5-(3-methylbut-2-enyl)-10,14-dioxo-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraen-15-yl]-2-methyl-but-2-enoic acid > (Z)-4-[(1S,2S,13S,15R)-7-[(2E)-3,7-dimethylocta-2,6-dienyl]-6,8-dihydroxy-17,17-dimethyl-5-(3-methylbut-2-enyl)-10,14-dioxo-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraen-15-yl]-2-methyl-2-butenoic acid > (Z)-4-[(1S,2S,13S,15R)-7-[(2E)-3,7-dimethylocta-2,6-dienyl]-6,8-dihydroxy-17,17-dimethyl-5-(3-methylbut-2-enyl)-10,14-dioxo-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraen-15-yl]-2-methylbut-2-enoic acid > (Z)-4-[(1S,2S,13S,15R)-7-[(2E)-3,7-dimethylocta-2,6-dienyl]-6,8-dihydroxy-17,17-dimethyl-5-(3-methylbut-2-enyl)-10,14-dioxo-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraen-15-yl]-2-methylbut-2-enoic acid > (Z)-4-[(1S,2S,13S,15R)-7-[(2E)-3,7-dimethylocta-2,6-dienyl]-17,17-dimethyl-5-(3-methylbut-2-enyl)-6,8-bis(oxidanyl)-10,14-bis(oxidanylidene)-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraen-15-yl]-2-methyl-but-2-enoic acid > (Z)-4-[(1S,2S,13S,15R)-7-[(2E)-3,7-dimethylocta-2,6-dienyl]-6,8-dihydroxy-10,14-diketo-17,17-dimethyl-5-(3-methylbut-2-enyl)-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraen-15-yl]-2-methyl-but-2-enoic acid > InChI=1S/C38H46O8/c1-20(2)10-9-11-22(5)13-15-25-30(39)26(14-12-21(3)4)33-29(31(25)40)32(41)27-18-24-19-28-36(7,8)46-37(34(24)42,38(27,28)45-33)17-16-23(6)35(43)44/h10,12-13,16,18,24,28,39-40H,9,11,14-15,17,19H2,1-8H3,(H,43,44)/b22-13+,23-16-/t24-,28+,37+,38-/m1/s1 > RCWNBHCZYXWDOV-VSFMGBBVSA-N > 7.9 > 630.31926842 > C38H46O8 > 630.8 > CC(=CCCC(=CCC1=C(C(=C2C(=C1O)C(=O)C3=CC4CC5C3(O2)C(C4=O)(OC5(C)C)CC=C(C)C(=O)O)CC=C(C)C)O)C)C > CC(=CCC/C(=C/CC1=C(C(=C2C(=C1O)C(=O)C3=C[C@@H]4C[C@@H]5[C@@]3(O2)[C@](C4=O)(OC5(C)C)C/C=C(/C)\C(=O)O)CC=C(C)C)O)/C)C > 130 > 630.31926842 > 0 > 46 > 4 > 0 > 2 > 0 > 0 > 1 > -1 > 1 5 255 > 10 47 5 11 18 6 14 50 6 9 2 6 22 23 8 22 25 8 23 26 8 25 28 8 26 29 8 28 29 8 $$$$