6433402 -OEChem-05032417512D 135135 0 0 0 0 0 0 0999 V2000 2.0000 -12.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -14.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 9.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -9.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -9.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 10.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 11.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 12.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -11.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 9.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -10.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -12.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 13.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -9.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 12.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -12.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -13.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -12.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -14.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 13.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -13.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -14.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 14.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -15.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 15.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 15.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 -0.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 0.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6044 2.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0029 3.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 -3.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 -2.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 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0 0 0 0 0 4.8535 -8.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -9.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -8.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9893 7.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 9.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 10.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -7.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 -0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9703 3.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1233 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3503 2.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 -2.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 -3.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4344 5.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 6.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8144 6.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 10.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 12.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 11.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 -5.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -5.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 -6.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -10.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -11.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7023 8.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 9.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0823 9.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -10.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 12.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 13.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -8.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -8.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -9.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9703 11.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 12.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3503 12.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -12.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 13.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -13.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -14.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -14.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 -15.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -15.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 -15.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 15.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 15.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 14.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 14.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 15.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 15.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 45 2 0 0 0 0 2 50 2 0 0 0 0 3 6 1 0 0 0 0 3 10 1 0 0 0 0 3 56 1 0 0 0 0 3 57 1 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 4 58 1 0 0 0 0 4 59 1 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 5 60 1 0 0 0 0 5 61 1 0 0 0 0 6 17 1 0 0 0 0 6 62 1 0 0 0 0 6 63 1 0 0 0 0 7 18 1 0 0 0 0 7 64 1 0 0 0 0 7 65 1 0 0 0 0 8 20 1 0 0 0 0 8 66 1 0 0 0 0 8 67 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 9 68 1 0 0 0 0 9 69 1 0 0 0 0 10 18 2 0 0 0 0 10 30 1 0 0 0 0 11 17 2 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 19 1 0 0 0 0 12 70 1 0 0 0 0 12 71 1 0 0 0 0 13 22 1 0 0 0 0 13 72 1 0 0 0 0 13 73 1 0 0 0 0 14 22 2 0 0 0 0 14 32 1 0 0 0 0 15 26 1 0 0 0 0 15 74 1 0 0 0 0 15 75 1 0 0 0 0 16 20 2 0 0 0 0 16 33 1 0 0 0 0 17 76 1 0 0 0 0 18 77 1 0 0 0 0 19 28 2 0 0 0 0 19 37 1 0 0 0 0 20 78 1 0 0 0 0 21 23 1 0 0 0 0 21 27 1 0 0 0 0 21 79 1 0 0 0 0 21 80 1 0 0 0 0 22 81 1 0 0 0 0 23 26 2 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 24 82 1 0 0 0 0 24 83 1 0 0 0 0 25 29 1 0 0 0 0 25 84 1 0 0 0 0 25 85 1 0 0 0 0 26 86 1 0 0 0 0 27 34 1 0 0 0 0 27 87 1 0 0 0 0 27 88 1 0 0 0 0 28 89 1 0 0 0 0 29 40 2 0 0 0 0 29 43 1 0 0 0 0 30 90 1 0 0 0 0 30 91 1 0 0 0 0 30 92 1 0 0 0 0 31 93 1 0 0 0 0 31 94 1 0 0 0 0 31 95 1 0 0 0 0 32 96 1 0 0 0 0 32 97 1 0 0 0 0 32 98 1 0 0 0 0 33 99 1 0 0 0 0 33100 1 0 0 0 0 33101 1 0 0 0 0 34 35 2 0 0 0 0 34102 1 0 0 0 0 35 36 1 0 0 0 0 35 44 1 0 0 0 0 36 42 1 0 0 0 0 36103 1 0 0 0 0 36104 1 0 0 0 0 37105 1 0 0 0 0 37106 1 0 0 0 0 37107 1 0 0 0 0 38 40 1 0 0 0 0 38 41 1 0 0 0 0 38108 1 0 0 0 0 38109 1 0 0 0 0 39110 1 0 0 0 0 39111 1 0 0 0 0 39112 1 0 0 0 0 40113 1 0 0 0 0 41 45 1 0 0 0 0 41 47 2 0 0 0 0 42 49 1 0 0 0 0 42114 1 0 0 0 0 42115 1 0 0 0 0 43116 1 0 0 0 0 43117 1 0 0 0 0 43118 1 0 0 0 0 44119 1 0 0 0 0 44120 1 0 0 0 0 44121 1 0 0 0 0 45 46 1 0 0 0 0 46 48 2 0 0 0 0 46 51 1 0 0 0 0 47 50 1 0 0 0 0 47122 1 0 0 0 0 48 50 1 0 0 0 0 48 53 1 0 0 0 0 49 52 2 0 0 0 0 49123 1 0 0 0 0 51124 1 0 0 0 0 51125 1 0 0 0 0 51126 1 0 0 0 0 52 54 1 0 0 0 0 52 55 1 0 0 0 0 53127 1 0 0 0 0 53128 1 0 0 0 0 53129 1 0 0 0 0 54130 1 0 0 0 0 54131 1 0 0 0 0 54132 1 0 0 0 0 55133 1 0 0 0 0 55134 1 0 0 0 0 55135 1 0 0 0 0 M END > 6433402 > 1 > 1590 > 2 > 0 > 26 > AAADcfB8MAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAGgAAAAAADASAgAACAAAAAACIAqBSAAAAAAAgAAAACAEAAEgAABIAAQAAAAAAgAAIAYMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 2,3-dimethyl-5-[(2E,6E,10E,14E,18E,22Z,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]-1,4-benzoquinone > 2,3-dimethyl-5-[(2E,6E,10E,14E,18E,22Z,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]cyclohexa-2,5-diene-1,4-dione > 2,3-dimethyl-5-[(2E,6E,10E,14E,18E,22Z,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]cyclohexa-2,5-diene-1,4-dione > 2,3-dimethyl-5-[(2E,6E,10E,14E,18E,22Z,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]cyclohexa-2,5-diene-1,4-dione > 2,3-dimethyl-5-[(2E,6E,10E,14E,18E,22Z,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]cyclohexa-2,5-diene-1,4-dione > 2,3-dimethyl-5-[(2E,6E,10E,14E,18E,22Z,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]-p-benzoquinone > InChI=1S/C53H80O2/c1-40(2)21-13-22-41(3)23-14-24-42(4)25-15-26-43(5)27-16-28-44(6)29-17-30-45(7)31-18-32-46(8)33-19-34-47(9)35-20-36-48(10)37-38-51-39-52(54)49(11)50(12)53(51)55/h21,23,25,27,29,31,33,35,37,39H,13-20,22,24,26,28,30,32,34,36,38H2,1-12H3/b41-23+,42-25+,43-27-,44-29+,45-31+,46-33+,47-35+,48-37+ > FKUYMLZIRPABFK-AUJUKTJBSA-N > 18.2 > 748.61583179 > C53H80O2 > 749.2 > CC1=C(C(=O)C(=CC1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C > CC1=C(C(=O)C(=CC1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C > 34.1 > 748.61583179 > 0 > 55 > 0 > 0 > 8 > 0 > 0 > 1 > -1 > 1 5 255 $$$$