Mol:EEL0068
Copyright: ARM project http://www.metabolome.jp/
116115 0 0 0 0 0 0 0 0999 V2000
12.7097 -4.1825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2751 -3.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6632 -2.7532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2285 -2.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3914 -3.1427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3643 -2.3169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8773 -0.5946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7842 2.2637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6416 -0.5946 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.6416 0.1698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4059 -0.5946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6416 -1.3589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4987 2.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4241 -4.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1386 -4.1825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4241 -5.4198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8531 -4.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5675 -4.1825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3236 2.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0380 2.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7525 2.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4669 2.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1813 2.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8957 2.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6102 2.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3247 2.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0391 2.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7535 2.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4680 2.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1825 2.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8968 2.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6113 2.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3257 2.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1967 1.5494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7842 0.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1967 0.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0698 0.4225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0698 1.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3552 0.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3552 0.0100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6408 1.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9264 0.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2120 1.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4975 0.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7831 1.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 1.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6399 0.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9254 1.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2108 0.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4965 1.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7820 0.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0676 1.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3531 0.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3531 0.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3613 1.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3613 2.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0757 0.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7901 1.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5045 0.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2190 1.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9335 0.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6480 1.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3623 0.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0768 1.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7913 0.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5056 1.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2201 0.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9345 1.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6490 0.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3634 1.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3634 2.0723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.7923 1.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0779 1.6599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2048 1.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2048 0.5330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7923 -0.1815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.9996 3.9762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.5650 3.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.9531 2.5469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.6813 2.9364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.6542 2.1106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4987 -0.5725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3236 -0.5725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0380 -0.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7525 -0.5725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4669 -0.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1813 -0.5725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.8957 -0.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.6102 -0.5725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.3247 -0.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.0391 -0.5725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.7535 -0.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.4680 -0.5725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.1825 -0.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.8968 -0.5725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -22.6113 -0.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -23.3257 -0.5725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0686 0.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8556 1.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8340 2.6873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5502 0.4554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.8556 1.8623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.8340 1.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5667 1.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5502 1.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6991 2.3659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.5667 1.0374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.8954 2.6947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.1265 0.7191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.8658 4.1825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.5801 4.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.2946 4.1825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.5801 5.4198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -20.0092 4.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.7237 4.1825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.4380 4.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 3 6 1 0 3 5 1 0 7 9 1 0 9 10 2 0 9 11 1 0 9 12 1 0 12 4 1 0 8 13 1 0 1 14 1 0 14 15 1 0 14 16 2 0 15 17 1 0 17 18 1 0 13 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 8 34 1 0 34 35 1 0 35 36 1 0 36 7 1 0 35 37 1 0 35 38 1 0 38 39 1 0 39 40 2 0 39 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 55 56 1 0 55 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 69 70 1 0 70 71 2 0 72 73 1 0 72 74 1 0 72 75 1 0 75 76 1 0 77 78 1 0 78 79 1 0 79 81 1 0 79 80 1 0 82 83 2 0 83 84 1 0 84 85 1 0 85 86 1 0 86 87 1 0 87 88 1 0 88 89 1 0 89 90 1 0 90 91 1 0 91 92 1 0 92 93 1 0 93 94 1 0 94 95 1 0 95 96 1 0 96 97 1 0 76 82 1 0 46 98 1 0 98 45 1 0
105 99 1 1 104 99 1 1 103105 1 1 103100 1 0 105101 1 0
99102 1 0
106103 1 0 104106 1 0
79104 1 0
104107 1 0 100108 1 0
74108 1 0 72109 1 0 70109 1 0
110111 1 0 111112 1 0 111113 2 0 112114 1 0 114115 1 0 115116 1 0 S SKP 6 AUTODRAW FALSE ID EEL0068 FORMULA C89H169O22P EXACTMASS 1621.184313602 AVERAGEMASS 1622.254721 SMILES C(C)CCC(O)=O M END
