Mol:VCA1179: Difference between revisions
(Created page with " Copyright: ARM project http://www.metabolome.jp/ 44 45 0 0 1 0 0 0 0 0 1 V2000 7.3411 -7.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.341...") |
No edit summary |
||
| Line 92: | Line 92: | ||
1 43 1 6 0 0 0 | 1 43 1 6 0 0 0 | ||
29 44 1 6 0 0 0 | 29 44 1 6 0 0 0 | ||
S SKP | S SKP 6 | ||
ID VCA1179 | ID VCA1179 | ||
FORMULA C40H52O4 | FORMULA C40H52O4 | ||
| Line 98: | Line 98: | ||
AVERAGEMASS 596.83848 | AVERAGEMASS 596.83848 | ||
SMILES C(C(=CC=CC=C(C=CC=C(C)C=CC(=C(C)2)C(C)(C)C(CC(=O)2)O)C)C)=CC=C(C)C=CC(=C(C)1)C(C)(C)C(CC(=O)1)O | SMILES C(C(=CC=CC=C(C=CC=C(C)C=CC(=C(C)2)C(C)(C)C(CC(=O)2)O)C)C)=CC=C(C)C=CC(=C(C)1)C(C)(C)C(CC(=O)1)O | ||
AUTODRAW FALSE | |||
M END | M END | ||
Latest revision as of 02:00, 19 November 2014
Copyright: ARM project http://www.metabolome.jp/
44 45 0 0 1 0 0 0 0 0 1 V2000 7.3411 -7.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3411 -8.7506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4928 -9.4157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6447 -8.7506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6447 -7.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4928 -6.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8203 -6.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9723 -7.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1241 -6.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2760 -7.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4277 -6.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5796 -7.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7315 -6.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8834 -7.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0352 -6.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1870 -7.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3388 -6.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4908 -7.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6426 -6.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7944 -7.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9462 -6.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0981 -7.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8277 -5.6038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1578 -5.6038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2436 -6.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3762 -7.4133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.5057 -6.7611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.6367 -7.4142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.7887 -6.7493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.7888 -5.4194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.6577 -4.7663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.5058 -5.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9717 -8.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.3017 -8.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3332 -4.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0981 -8.7506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4908 -8.7506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1241 -5.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7315 -5.4257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7957 -9.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4931 -10.7259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.6580 -3.4192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1752 -6.7476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.8524 -7.2589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 22 25 1 0 0 0 0 25 26 2 0 0 0 0 27 26 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 27 32 2 0 0 0 0 28 33 1 0 0 0 0 28 34 1 0 0 0 0 32 35 1 0 0 0 0 22 36 1 0 0 0 0 18 37 1 0 0 0 0 9 38 1 0 0 0 0 13 39 1 0 0 0 0 4 40 1 0 0 0 0 3 41 2 0 0 0 0 31 42 2 0 0 0 0 1 43 1 6 0 0 0 29 44 1 6 0 0 0
S SKP 6 ID VCA1179 FORMULA C40H52O4 EXACTMASS 596.386560152 AVERAGEMASS 596.83848 SMILES C(C(=CC=CC=C(C=CC=C(C)C=CC(=C(C)2)C(C)(C)C(CC(=O)2)O)C)C)=CC=C(C)C=CC(=C(C)1)C(C)(C)C(CC(=O)1)O AUTODRAW FALSE M END
