Mol:LBF20403PG06
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 25 26 0 0 0 0 0 0 0 0999 V2000 | + | 25 26 0 0 0 0 0 0 0 0999 V2000 |
− | 8.5559 -2.4062 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 8.5559 -2.4062 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 7.2469 -1.4552 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 7.2469 -1.4552 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 8.0559 -0.8674 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 8.0559 -0.8674 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 7.7469 0.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.7469 0.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.7469 0.0837 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 6.7469 0.0837 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 7.5559 -2.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.5559 -2.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.8650 -1.4552 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 8.8650 -1.4552 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 9.8160 -1.1461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.8160 -1.1461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 10.5592 -1.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.5592 -1.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 11.5102 -1.5063 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 11.5102 -1.5063 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 12.2534 -2.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.2534 -2.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 13.2044 -1.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.2044 -1.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 13.9476 -2.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.9476 -2.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 14.8986 -2.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.8986 -2.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 15.6418 -2.8956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 15.6418 -2.8956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.1591 0.8927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1591 0.8927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.1646 0.7882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1646 0.7882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5768 1.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5768 1.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5823 1.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5823 1.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9945 2.3017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9945 2.3017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.4379 -0.8674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4379 -0.8674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.1437 -3.2152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.1437 -3.2152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 11.7181 -0.5281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.7181 -0.5281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4013 3.2152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4013 3.2152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0000 2.1972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 2.1972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
− | 3 4 1 6 0 0 0 | + | 3 4 1 6 0 0 0 |
− | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
− | 5 21 1 6 0 0 0 | + | 5 21 1 6 0 0 0 |
− | 2 21 1 6 0 0 0 | + | 2 21 1 6 0 0 0 |
− | 2 6 1 0 0 0 0 | + | 2 6 1 0 0 0 0 |
− | 1 6 1 0 0 0 0 | + | 1 6 1 0 0 0 0 |
− | 1 7 1 0 0 0 0 | + | 1 7 1 0 0 0 0 |
− | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
− | 1 22 1 6 0 0 0 | + | 1 22 1 6 0 0 0 |
− | 7 8 1 1 0 0 0 | + | 7 8 1 1 0 0 0 |
− | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
− | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
− | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
− | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
− | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
− | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
− | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
− | 10 23 1 6 0 0 0 | + | 10 23 1 6 0 0 0 |
− | 5 16 1 0 0 0 0 | + | 5 16 1 0 0 0 0 |
− | 16 17 2 0 0 0 0 | + | 16 17 2 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 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
− | 20 25 2 0 0 0 0 | + | 20 25 2 0 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID LBF20403PG06 | + | ID LBF20403PG06 |
− | FORMULA C20H30O5 | + | FORMULA C20H30O5 |
− | EXACTMASS 350.20932407 | + | EXACTMASS 350.20932407 |
− | AVERAGEMASS 350.4492 | + | AVERAGEMASS 350.4492 |
− | SMILES C(=CC[C@@H](O)C=C[C@H]([C@H]12)[C@H](O)C[C@H](O[C@@H](C2)C=CCCC(O)=O)1)CC | + | SMILES C(=CC[C@@H](O)C=C[C@H]([C@H]12)[C@H](O)C[C@H](O[C@@H](C2)C=CCCC(O)=O)1)CC |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 25 26 0 0 0 0 0 0 0 0999 V2000 8.5559 -2.4062 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2469 -1.4552 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0559 -0.8674 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7469 0.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7469 0.0837 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5559 -2.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8650 -1.4552 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8160 -1.1461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5592 -1.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5102 -1.5063 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2534 -2.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2044 -1.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9476 -2.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8986 -2.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6418 -2.8956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1591 0.8927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1646 0.7882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5768 1.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 1.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 2.3017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4379 -0.8674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1437 -3.2152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7181 -0.5281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 3.2152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.1972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 1 6 0 0 0 4 5 1 0 0 0 0 5 21 1 6 0 0 0 2 21 1 6 0 0 0 2 6 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 3 7 1 0 0 0 0 1 22 1 6 0 0 0 7 8 1 1 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 10 23 1 6 0 0 0 5 16 1 0 0 0 0 16 17 2 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 24 1 0 0 0 0 20 25 2 0 0 0 0 S SKP 5 ID LBF20403PG06 FORMULA C20H30O5 EXACTMASS 350.20932407 AVERAGEMASS 350.4492 SMILES C(=CC[C@@H](O)C=C[C@H]([C@H]12)[C@H](O)C[C@H](O[C@@H](C2)C=CCCC(O)=O)1)CC M END