Mol:LBF237nnPG02
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 28 29 0 0 0 0 0 0 0 0999 V2000 | + | 28 29 0 0 0 0 0 0 0 0999 V2000 |
− | 6.6359 2.0114 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 6.6359 2.0114 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 7.5494 2.4182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 7.5494 2.4182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 7.4449 3.4127 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 7.4449 3.4127 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 6.4667 3.6206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4667 3.6206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.9667 2.7546 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 5.9667 2.7546 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 6.4280 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4280 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.4154 1.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.4154 1.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.4769 0.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4769 0.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.2690 -0.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2690 -0.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.3179 -0.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3179 -0.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.1100 -1.5410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1100 -1.5410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1590 -1.8501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1590 -1.8501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9511 -2.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9511 -2.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.4154 0.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.4154 0.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.2815 0.4182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 9.2815 0.4182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 9.2815 -0.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.2815 -0.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 10.1475 -1.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.1475 -1.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 10.1475 -2.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.1475 -2.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.2815 -2.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.2815 -2.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.2815 -3.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.2815 -3.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 10.1475 -4.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.1475 -4.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 11.0135 -3.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.0135 -3.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 11.0135 -2.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.0135 -2.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.9722 2.6501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9722 2.6501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.1880 4.0818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.1880 4.0818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 10.1475 0.9182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.1475 0.9182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6942 -3.4973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6942 -3.4973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0000 -3.1372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -3.1372 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 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
− | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
− | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
− | 5 1 1 0 0 0 0 | + | 5 1 1 0 0 0 0 |
− | 5 24 1 1 0 0 0 | + | 5 24 1 1 0 0 0 |
− | 3 25 1 1 0 0 0 | + | 3 25 1 1 0 0 0 |
− | 1 6 1 1 0 0 0 | + | 1 6 1 1 0 0 0 |
− | 2 7 1 6 0 0 0 | + | 2 7 1 6 0 0 0 |
− | 6 8 1 0 0 0 0 | + | 6 8 1 0 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 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
− | 7 14 2 0 0 0 0 | + | 7 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 |
− | 15 26 1 1 0 0 0 | + | 15 26 1 1 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 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
− | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
− | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
− | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
− | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
− | 23 18 1 0 0 0 0 | + | 23 18 1 0 0 0 0 |
− | 13 27 1 0 0 0 0 | + | 13 27 1 0 0 0 0 |
− | 13 28 2 0 0 0 0 | + | 13 28 2 0 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID LBF237nnPG02 | + | ID LBF237nnPG02 |
− | FORMULA C23H32O5 | + | FORMULA C23H32O5 |
− | EXACTMASS 388.224974134 | + | EXACTMASS 388.224974134 |
− | AVERAGEMASS 388.49718 | + | AVERAGEMASS 388.49718 |
− | SMILES C(c(c2)cccc2)C[C@@H](C=C[C@H]([C@H]1CC=CCCCC(O)=O)[C@@H](C[C@H](O)1)O)O | + | SMILES C(c(c2)cccc2)C[C@@H](C=C[C@H]([C@H]1CC=CCCCC(O)=O)[C@@H](C[C@H](O)1)O)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 28 29 0 0 0 0 0 0 0 0999 V2000 6.6359 2.0114 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5494 2.4182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4449 3.4127 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4667 3.6206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 2.7546 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4280 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4154 1.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4769 0.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 -0.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3179 -0.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1100 -1.5410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 -1.8501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 -2.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4154 0.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2815 0.4182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2815 -0.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1475 -1.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1475 -2.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2815 -2.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2815 -3.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1475 -4.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0135 -3.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0135 -2.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9722 2.6501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1880 4.0818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1475 0.9182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 -3.4973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1372 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 1 0 0 0 0 5 1 1 0 0 0 0 5 24 1 1 0 0 0 3 25 1 1 0 0 0 1 6 1 1 0 0 0 2 7 1 6 0 0 0 6 8 1 0 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 1 0 0 0 0 7 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 1 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 18 1 0 0 0 0 13 27 1 0 0 0 0 13 28 2 0 0 0 0 S SKP 5 ID LBF237nnPG02 FORMULA C23H32O5 EXACTMASS 388.224974134 AVERAGEMASS 388.49718 SMILES C(c(c2)cccc2)C[C@@H](C=C[C@H]([C@H]1CC=CCCCC(O)=O)[C@@H](C[C@H](O)1)O)O M END