Mol:EEL3032: Difference between revisions
No edit summary |
No edit summary |
||
| Line 199: | Line 199: | ||
A 2 | A 2 | ||
Glc | Glc | ||
S SKP | S SKP 6 | ||
AUTODRAW FALSE | |||
ID EEL3032 | ID EEL3032 | ||
FORMULA C88H176O6 | FORMULA C88H176O6 | ||
Latest revision as of 15:40, 30 April 2013
Copyright: ARM project http://www.metabolome.jp/
96 96 0 0 0 0 0 0 0 0999 V2000 -10.6988 -2.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6715 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3365 -0.8409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8055 -0.0842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3866 0.7014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5504 -1.2614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5796 -0.3701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3270 1.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6127 0.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8985 1.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1841 0.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4697 1.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7554 0.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0411 1.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3268 0.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6122 1.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8978 0.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1838 1.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4693 0.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7551 1.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0406 0.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3262 1.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6119 0.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7165 -0.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0020 -1.2065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2878 -0.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5735 -1.2065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 -0.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1449 -1.2065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4306 -0.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7161 -1.2065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0016 -0.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2874 -1.2065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5730 -0.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8589 -1.2065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1444 -0.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4300 -1.2065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7156 -0.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8985 1.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0411 1.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1838 1.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2878 0.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4306 0.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5730 0.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7156 0.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8508 1.5330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4321 0.7472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9010 -0.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4823 -0.7952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6462 1.1677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6754 0.2763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4228 -1.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7083 -0.7952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9942 -1.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2798 -0.7952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5655 -1.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8512 -0.7952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1367 -1.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4223 -0.7952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7080 -1.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9936 -0.7952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2794 -1.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5649 -0.7952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8507 -1.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1363 -0.7952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4220 -1.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1034 -1.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8122 0.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0977 1.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3834 0.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6693 1.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9549 0.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2406 1.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5261 0.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8117 1.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0974 0.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3831 1.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6686 0.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9544 1.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2402 0.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5258 1.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8112 0.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9942 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1367 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2794 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4220 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3834 -0.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5261 -0.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6686 -0.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8112 -0.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1025 1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6111 -0.7921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3262 1.9388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9010 -1.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6623 -2.2323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4143 2.2331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 4 5 1 0 3 7 1 0 3 6 1 0 8 5 1 0 9 8 1 0 10 9 1 0 11 10 1 0 12 11 1 0 13 12 1 0 14 13 1 0 15 14 1 0 16 15 1 0 17 16 1 0 18 17 1 0 19 18 1 0 20 19 1 0 21 20 1 0 22 21 1 0 23 22 1 0 25 24 1 0 26 25 1 0 27 26 1 0 28 27 1 0 29 28 1 0 30 29 1 0 31 30 1 0 32 31 1 0 33 32 1 0 34 33 1 0 35 34 1 0 36 35 1 0 37 36 1 0 38 37 1 0 6 24 1 0 10 39 1 0 14 40 1 0 18 41 1 0 26 42 1 0 30 43 1 0 34 44 1 0 38 45 1 0 46 47 1 0 47 48 1 0 48 49 1 0 47 51 1 0 47 50 1 0 52 49 1 0 53 52 1 0 54 53 1 0 55 54 1 0 56 55 1 0 57 56 1 0 58 57 1 0 59 58 1 0 60 59 1 0 61 60 1 0 62 61 1 0 63 62 1 0 64 63 1 0 65 64 1 0 66 65 1 0 69 68 1 0 70 69 1 0 71 70 1 0 72 71 1 0 73 72 1 0 74 73 1 0 75 74 1 0 76 75 1 0 77 76 1 0 78 77 1 0 79 78 1 0 80 79 1 0 81 80 1 0 82 81 1 0 50 68 1 0 54 83 1 0 58 84 1 0 62 85 1 0 66 86 1 0 70 87 1 0 74 88 1 0 78 89 1 0 82 90 1 0 38 67 1 0 23 91 1 0 67 92 1 0 82 91 1 0 66 92 1 0 22 93 1 0 1 2 1 0 3 94 1 0 94 95 1 0 95 2 1 0 46 96 1 0
A 1 Glc A 2 Glc S SKP 6 AUTODRAW FALSE ID EEL3032 FORMULA C88H176O6 EXACTMASS 1329.346693364 AVERAGEMASS 1330.33544 SMILES C(C1)C(C)CCCC(C)CCC(CCCC(C)CCCC(C)CCCC(CCOCC(COCC)(OCCC(C)CCCC(C)CCCC(C)CCCC(C)CCC(CCCC(C)CCCC(CCCC(C)CCOCC(OCCC(CCCC(C1)C)C)([H])CO)C)C)[H])C)C M END
