Mol:LBPR02030010
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 58 59 0 0 0 0 0 0 0 0999 V2000 | + | 58 59 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9282 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.7942 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.7942 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.6603 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.6603 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.5263 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.5263 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.3923 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.3923 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.5263 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.5263 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 13.2583 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.2583 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 14.1244 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.1244 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 14.9904 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.9904 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 15.8564 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 15.8564 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 16.7224 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 16.7224 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 17.5885 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 17.5885 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 18.4545 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 18.4545 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 19.3205 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 19.3205 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 20.1865 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 20.1865 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 21.0526 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 21.0526 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 21.9186 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 21.9186 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 22.7846 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 22.7846 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 23.6506 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 23.6506 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 24.5167 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 24.5167 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 25.3827 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 25.3827 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 26.2487 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 26.2487 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 27.1147 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 27.1147 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 27.9808 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 27.9808 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 28.8468 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 28.8468 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 29.7128 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 29.7128 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 30.5788 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 30.5788 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 31.4449 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 31.4449 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 32.3109 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 32.3109 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 33.1769 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 33.1769 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 34.0429 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 34.0429 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 34.9090 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 34.9090 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 35.7750 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 35.7750 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 35.7750 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 35.7750 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 14.9904 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.9904 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 18.4545 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 18.4545 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 21.9186 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 21.9186 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 25.3827 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 25.3827 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 28.8468 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 28.8468 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 32.3109 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 32.3109 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 36.6410 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 36.6410 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 7 2 0 0 0 0 | + | 6 7 2 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 5 10 1 0 0 0 0 | + | 5 10 1 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 1 6 1 0 0 0 0 | + | 1 6 1 0 0 0 0 |
| − | 5 57 2 0 0 0 0 | + | 5 57 2 0 0 0 0 |
| − | 8 58 2 0 0 0 0 | + | 8 58 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 18 21 1 0 0 0 0 | + | 18 21 1 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 2 0 0 0 0 | + | 31 32 2 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 36 2 0 0 0 0 | + | 35 36 2 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 39 40 2 0 0 0 0 | + | 39 40 2 0 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
| − | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
| − | 43 44 2 0 0 0 0 | + | 43 44 2 0 0 0 0 |
| − | 44 45 1 0 0 0 0 | + | 44 45 1 0 0 0 0 |
| − | 45 46 1 0 0 0 0 | + | 45 46 1 0 0 0 0 |
| − | 46 47 1 0 0 0 0 | + | 46 47 1 0 0 0 0 |
| − | 47 48 2 0 0 0 0 | + | 47 48 2 0 0 0 0 |
| − | 48 49 1 0 0 0 0 | + | 48 49 1 0 0 0 0 |
| − | 24 50 1 0 0 0 0 | + | 24 50 1 0 0 0 0 |
| − | 28 51 1 0 0 0 0 | + | 28 51 1 0 0 0 0 |
| − | 32 52 1 0 0 0 0 | + | 32 52 1 0 0 0 0 |
| − | 36 53 1 0 0 0 0 | + | 36 53 1 0 0 0 0 |
| − | 40 54 1 0 0 0 0 | + | 40 54 1 0 0 0 0 |
| − | 44 55 1 0 0 0 0 | + | 44 55 1 0 0 0 0 |
| − | 48 56 1 0 0 0 0 | + | 48 56 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBPR02030010 | + | ID LBPR02030010 |
| − | FORMULA C56H80O2 | + | FORMULA C56H80O2 |
| − | EXACTMASS 784.615831804 | + | EXACTMASS 784.615831804 |
| − | AVERAGEMASS 785.2332 | + | AVERAGEMASS 785.2332 |
| − | SMILES CC(=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(C)=CCc(c2C)c(c(c(c(=O)2)1)cccc1)=O)C)C)CCC=C(C)CCC=C(C)CCC=C(C)C | + | SMILES CC(=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(C)=CCc(c2C)c(c(c(c(=O)2)1)cccc1)=O)C)C)CCC=C(C)CCC=C(C)CCC=C(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
58 59 0 0 0 0 0 0 0 0999 V2000
2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3923 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2583 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1244 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9904 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.8564 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.7224 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.5885 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.4545 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.3205 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.1865 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.0526 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.9186 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.7846 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23.6506 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
24.5167 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
25.3827 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
26.2487 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
27.1147 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
27.9808 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
28.8468 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
29.7128 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
30.5788 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
31.4449 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
32.3109 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
33.1769 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
34.0429 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
34.9090 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
35.7750 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
35.7750 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9904 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.4545 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.9186 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
25.3827 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
28.8468 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
32.3109 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
36.6410 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
5 10 1 0 0 0 0
4 7 1 0 0 0 0
1 6 1 0 0 0 0
5 57 2 0 0 0 0
8 58 2 0 0 0 0
10 11 1 0 0 0 0
9 12 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 1 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
14 20 1 0 0 0 0
18 21 1 0 0 0 0
12 13 1 0 0 0 0
19 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 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 2 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 2 0 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
39 40 2 0 0 0 0
40 41 1 0 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
43 44 2 0 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
47 48 2 0 0 0 0
48 49 1 0 0 0 0
24 50 1 0 0 0 0
28 51 1 0 0 0 0
32 52 1 0 0 0 0
36 53 1 0 0 0 0
40 54 1 0 0 0 0
44 55 1 0 0 0 0
48 56 1 0 0 0 0
S SKP 5
ID LBPR02030010
FORMULA C56H80O2
EXACTMASS 784.615831804
AVERAGEMASS 785.2332
SMILES CC(=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(C)=CCc(c2C)c(c(c(c(=O)2)1)cccc1)=O)C)C)CCC=C(C)CCC=C(C)CCC=C(C)C
M END
