5281233 -OEChem-05042415552D 132135 0 1 0 0 0 0 0999 V2000 4.2690 5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4555 -7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 6.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -6.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 -7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 8.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 -8.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 -5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4555 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 9.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -9.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1876 -5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 8.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -8.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 6.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -6.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 6.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1876 -8.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 -5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 7.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9914 -7.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 8.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.9914 -8.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 4.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.5895 -5.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 3.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.4555 -5.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7331 8.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1254 -8.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 5.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5895 -6.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 4.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3215 -5.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 5.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3215 -6.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5991 8.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2594 -8.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 7.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2594 -7.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5369 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1876 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 6.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 -6.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 7.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 -8.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5895 -4.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9925 -4.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 8.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -8.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 5.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5895 -7.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8585 -5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 5.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.3215 -7.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 8.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7963 -8.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 7.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 6.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2560 -6.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4589 -6.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 6.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -7.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 5.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 4.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.7982 -7.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.3996 -6.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 9.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 -9.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 -4.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9925 -3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 9.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6623 -9.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.7245 -5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 8.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -9.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.7245 -8.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5072 4.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8872 6.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3513 -4.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9713 -6.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0643 -3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1982 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2392 1.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6192 3.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6192 -1.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2392 -3.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3322 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 1 39 1 0 0 0 0 2 36 1 0 0 0 0 2 40 1 0 0 0 0 3 25 1 0 0 0 0 3 45 1 0 0 0 0 4 26 1 0 0 0 0 4 46 1 0 0 0 0 35 5 1 1 0 0 0 5 43 1 0 0 0 0 36 6 1 1 0 0 0 6 44 1 0 0 0 0 27 7 1 1 0 0 0 7 97 1 0 0 0 0 28 8 1 1 0 0 0 8 98 1 0 0 0 0 29 9 1 6 0 0 0 9 99 1 0 0 0 0 30 10 1 6 0 0 0 10100 1 0 0 0 0 31 11 1 1 0 0 0 11101 1 0 0 0 0 32 12 1 1 0 0 0 12102 1 0 0 0 0 33 13 1 6 0 0 0 13103 1 0 0 0 0 34 14 1 6 0 0 0 14104 1 0 0 0 0 37 15 1 6 0 0 0 15105 1 0 0 0 0 38 16 1 6 0 0 0 16106 1 0 0 0 0 41 17 1 1 0 0 0 17107 1 0 0 0 0 42 18 1 1 0 0 0 18108 1 0 0 0 0 45 19 1 6 0 0 0 19 49 1 0 0 0 0 46 20 1 6 0 0 0 20 50 1 0 0 0 0 21 47 1 0 0 0 0 21109 1 0 0 0 0 22 48 1 0 0 0 0 22110 1 0 0 0 0 23 49 2 0 0 0 0 24 50 2 0 0 0 0 25 27 1 0 0 0 0 25 43 1 6 0 0 0 25 69 1 0 0 0 0 26 28 1 0 0 0 0 26 44 1 6 0 0 0 26 70 1 0 0 0 0 27 33 1 0 0 0 0 27 71 1 0 0 0 0 28 34 1 0 0 0 0 28 72 1 0 0 0 0 29 31 1 0 0 0 0 29 35 1 0 0 0 0 29 73 1 0 0 0 0 30 32 1 0 0 0 0 30 36 1 0 0 0 0 30 74 1 0 0 0 0 31 37 1 0 0 0 0 31 75 1 0 0 0 0 32 38 1 0 0 0 0 32 76 1 0 0 0 0 33 41 1 0 0 0 0 33 77 1 0 0 0 0 34 42 1 0 0 0 0 34 78 1 0 0 0 0 35 79 1 0 0 0 0 36 80 1 0 0 0 0 37 39 1 0 0 0 0 37 81 1 0 0 0 0 38 40 1 0 0 0 0 38 82 1 0 0 0 0 39 47 1 1 0 0 0 39 83 1 0 0 0 0 40 48 1 1 0 0 0 40 84 1 0 0 0 0 41 45 1 0 0 0 0 41 85 1 0 0 0 0 42 46 1 0 0 0 0 42 86 1 0 0 0 0 43 87 1 0 0 0 0 43 88 1 0 0 0 0 44 89 1 0 0 0 0 44 90 1 0 0 0 0 45 91 1 0 0 0 0 46 92 1 0 0 0 0 47 93 1 0 0 0 0 47 94 1 0 0 0 0 48 95 1 0 0 0 0 48 96 1 0 0 0 0 49 51 1 0 0 0 0 50 52 1 0 0 0 0 51 53 1 0 0 0 0 51 55 2 0 0 0 0 52 54 1 0 0 0 0 52 56 2 0 0 0 0 53111 1 0 0 0 0 53112 1 0 0 0 0 53113 1 0 0 0 0 54114 1 0 0 0 0 54115 1 0 0 0 0 54116 1 0 0 0 0 55 57 1 0 0 0 0 55117 1 0 0 0 0 56 58 1 0 0 0 0 56118 1 0 0 0 0 57 59 2 0 0 0 0 57119 1 0 0 0 0 58 60 2 0 0 0 0 58120 1 0 0 0 0 59 61 1 0 0 0 0 59121 1 0 0 0 0 60 62 1 0 0 0 0 60122 1 0 0 0 0 61 63 1 0 0 0 0 61 65 2 0 0 0 0 62 64 1 0 0 0 0 62 66 2 0 0 0 0 63123 1 0 0 0 0 63124 1 0 0 0 0 63125 1 0 0 0 0 64126 1 0 0 0 0 64127 1 0 0 0 0 64128 1 0 0 0 0 65 67 1 0 0 0 0 65129 1 0 0 0 0 66 68 1 0 0 0 0 66130 1 0 0 0 0 67 68 2 0 0 0 0 67131 1 0 0 0 0 68132 1 0 0 0 0 M END > 5281233 > 1 > 1730 > 24 > 14 > 20 > AAADcfB8PgAAAAAAAAAAAAAAAAAAAAAAAAAkSJEgAAAAAAAAAAAAGgAACAAADBSwgAMCCAAABgCIAiDSCAAAAAAgAAAICAEAAEgZFAIAIQAiUAAFAAAPoYPAYAwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > bis[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate > (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid bis[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-2-oxanyl] ester > bis[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate > bis[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate > bis[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate > (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid bis[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl] ester > InChI=1S/C44H64O24/c1-19(11-7-13-21(3)39(59)67-43-37(57)33(53)29(49)25(65-43)17-61-41-35(55)31(51)27(47)23(15-45)63-41)9-5-6-10-20(2)12-8-14-22(4)40(60)68-44-38(58)34(54)30(50)26(66-44)18-62-42-36(56)32(52)28(48)24(16-46)64-42/h5-14,23-38,41-58H,15-18H2,1-4H3/b6-5+,11-7+,12-8+,19-9+,20-10+,21-13+,22-14+/t23-,24-,25-,26-,27-,28-,29-,30-,31+,32+,33+,34+,35-,36-,37-,38-,41-,42-,43+,44+/m1/s1 > SEBIKDIMAPSUBY-RTJKDTQDSA-N > -2.5 > 976.37875290 > C44H64O24 > 977.0 > CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C=CC=C(C)C(=O)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O > C/C(=C\C=C\C=C(\C=C\C=C(\C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)/C)/C)/C=C/C=C(/C(=O)O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO)\C > 391 > 976.37875290 > 0 > 68 > 20 > 0 > 7 > 0 > 0 > 1 > -1 > 1 5 255 > 30 10 6 31 11 5 32 12 5 33 13 6 34 14 6 37 15 6 38 16 6 41 17 5 42 18 5 45 19 6 46 20 6 25 43 6 26 44 6 39 47 5 40 48 5 35 5 5 36 6 5 27 7 5 28 8 5 29 9 6 $$$$