Mol:LBPR02020037
From Metabolomics.JP
(Difference between revisions)
Line 1: | Line 1: | ||
− | + | ||
− | + | ||
− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 50 51 0 0 0 0 0 0 0 0999 V2000 | + | 50 51 0 0 0 0 0 0 0 0999 V2000 |
− | 13.2321 2.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.2321 2.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 12.3660 2.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.3660 2.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 11.5000 2.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.5000 2.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 11.5000 3.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.5000 3.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 12.3660 4.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.3660 4.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 13.2321 3.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.2321 3.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 10.6340 4.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.6340 4.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 10.6340 5.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.6340 5.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 11.5000 5.9689 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 11.5000 5.9689 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | 14.0981 4.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.0981 4.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 14.0981 2.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.0981 2.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 12.3660 1.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.3660 1.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 10.6340 2.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.6340 2.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 12.0000 6.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.0000 6.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 11.0000 6.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.0000 6.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 13.2321 -0.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.2321 -0.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 14.0981 -0.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.0981 -0.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 14.0981 -1.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.0981 -1.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 14.9641 -2.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.9641 -2.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 14.9641 -3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.9641 -3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 15.8301 -3.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 15.8301 -3.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 15.8301 -4.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 15.8301 -4.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 16.6962 -5.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 16.6962 -5.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 16.6962 -6.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 16.6962 -6.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 17.5622 -6.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 17.5622 -6.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 17.5622 -7.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 17.5622 -7.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 18.4282 -8.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 18.4282 -8.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 18.4282 -9.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 18.4282 -9.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 19.2942 -9.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 19.2942 -9.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 19.2942 -10.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 19.2942 -10.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 20.1603 -11.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 20.1603 -11.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 20.1603 -12.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 20.1603 -12.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 10.0000 6.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.0000 6.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.5000 7.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.5000 7.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.5000 7.7010 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 8.5000 7.7010 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | 8.0000 8.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0000 8.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.0000 8.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.0000 8.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.5000 9.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.5000 9.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.5000 9.4330 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 5.5000 9.4330 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | 8.0000 6.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0000 6.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.0000 10.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0000 10.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.0000 8.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0000 8.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.0000 10.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0000 10.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5000 11.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5000 11.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5000 11.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5000 11.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0000 10.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 10.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0000 12.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 12.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 12.3660 5.4689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.3660 5.4689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 13.2321 0.9689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.2321 0.9689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 11.5000 0.9689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.5000 0.9689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
− | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
− | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
− | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
− | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
− | 1 6 2 0 0 0 0 | + | 1 6 2 0 0 0 0 |
− | 4 7 1 0 0 0 0 | + | 4 7 1 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 48 1 0 0 0 0 | + | 9 48 1 0 0 0 0 |
− | 5 48 1 0 0 0 0 | + | 5 48 1 0 0 0 0 |
− | 6 10 1 0 0 0 0 | + | 6 10 1 0 0 0 0 |
− | 1 11 1 0 0 0 0 | + | 1 11 1 0 0 0 0 |
− | 2 12 1 0 0 0 0 | + | 2 12 1 0 0 0 0 |
− | 3 13 1 0 0 0 0 | + | 3 13 1 0 0 0 0 |
− | 9 14 1 4 0 0 0 | + | 9 14 1 4 0 0 0 |
− | 9 15 1 0 0 0 0 | + | 9 15 1 0 0 0 0 |
− | 12 49 1 0 0 0 0 | + | 12 49 1 0 0 0 0 |
− | 12 50 2 0 0 0 0 | + | 12 50 2 0 0 0 0 |
− | 49 16 1 0 0 0 0 | + | 49 16 1 0 0 0 0 |
− | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
− | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
− | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
− | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
− | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
− | 21 22 1 0 0 0 0 | + | 21 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 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
− | 27 28 1 0 0 0 0 | + | 27 28 1 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 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
− | 15 33 1 0 0 0 0 | + | 15 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 1 0 0 0 0 | + | 35 36 1 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 |
− | 35 40 1 4 0 0 0 | + | 35 40 1 4 0 0 0 |
− | 39 41 1 0 0 0 0 | + | 39 41 1 0 0 0 0 |
− | 39 42 1 4 0 0 0 | + | 39 42 1 4 0 0 0 |
− | 41 43 1 0 0 0 0 | + | 41 43 1 0 0 0 0 |
− | 43 44 1 0 0 0 0 | + | 43 44 1 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 |
− | 45 47 1 0 0 0 0 | + | 45 47 1 0 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID LBPR02020037 | + | ID LBPR02020037 |
− | FORMULA C47H80O3 | + | FORMULA C47H80O3 |
− | EXACTMASS 692.610746426 | + | EXACTMASS 692.610746426 |
− | AVERAGEMASS 693.1362999999999 | + | AVERAGEMASS 693.1362999999999 |
− | SMILES C(C(C)CCCC(C)C)CCC(C)CCCC(O2)(CCc(c21)c(c(C(OCCCCCCCC=CCC=CCCCCC)=O)c(C)c1C)C)C | + | SMILES C(C(C)CCCC(C)C)CCC(C)CCCC(O2)(CCc(c21)c(c(C(OCCCCCCCC=CCC=CCCCCC)=O)c(C)c1C)C)C |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 50 51 0 0 0 0 0 0 0 0999 V2000 13.2321 2.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3660 2.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5000 2.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5000 3.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3660 4.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2321 3.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6340 4.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6340 5.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5000 5.9689 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.0981 4.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0981 2.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3660 1.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6340 2.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0000 6.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0000 6.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2321 -0.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0981 -0.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0981 -1.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9641 -2.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9641 -3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8301 -3.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8301 -4.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6962 -5.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6962 -6.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5622 -6.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5622 -7.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4282 -8.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4282 -9.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2942 -9.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2942 -10.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1603 -11.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1603 -12.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0000 6.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5000 7.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 7.7010 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0000 8.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 8.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 9.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 9.4330 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0000 6.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 10.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 8.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 10.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 11.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 11.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 10.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 12.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3660 5.4689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2321 0.9689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5000 0.9689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 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 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 48 1 0 0 0 0 5 48 1 0 0 0 0 6 10 1 0 0 0 0 1 11 1 0 0 0 0 2 12 1 0 0 0 0 3 13 1 0 0 0 0 9 14 1 4 0 0 0 9 15 1 0 0 0 0 12 49 1 0 0 0 0 12 50 2 0 0 0 0 49 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 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 2 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 15 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 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 35 40 1 4 0 0 0 39 41 1 0 0 0 0 39 42 1 4 0 0 0 41 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 S SKP 5 ID LBPR02020037 FORMULA C47H80O3 EXACTMASS 692.610746426 AVERAGEMASS 693.1362999999999 SMILES C(C(C)CCCC(C)C)CCC(C)CCCC(O2)(CCc(c21)c(c(C(OCCCCCCCC=CCC=CCCCCC)=O)c(C)c1C)C)C M END