Mol:LBST04010395
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 31 0 0 0 0 0 0 0 0999 V2000 | + | 28 31 0 0 0 0 0 0 0 0999 V2000 |
− | 5.4641 3.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 3.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.4641 4.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 4.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5981 5.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 5.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7321 4.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 4.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7321 3.5548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.7321 3.5548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 4.5981 3.0548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.5981 3.0548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 2.8660 3.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 3.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8660 2.0548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 2.8660 2.0548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 3.7321 1.5548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.7321 1.5548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 4.5981 2.0548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.5981 2.0548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 3.7321 0.5548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.7321 0.5548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 4.5981 0.0548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.5981 0.0548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 5.4641 0.5548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 5.4641 0.5548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 5.4641 1.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 1.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9889 -0.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9889 -0.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.3956 -1.0278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3956 -1.0278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.3902 -0.9233 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.3902 -0.9233 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 5.1104 -4.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1104 -4.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.4194 -3.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4194 -3.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.7503 -2.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7503 -2.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.0593 -1.6664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.0593 -1.6664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 6.0374 -1.4585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.0374 -1.4585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.4641 2.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 2.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.4641 -0.4452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -0.4452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0000 1.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 1.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.3301 0.0548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 0.0548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.1322 -4.5196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1322 -4.5196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.7795 -5.0548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7795 -5.0548 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 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
− | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
− | 6 1 1 6 0 0 0 | + | 6 1 1 6 0 0 0 |
− | 5 7 1 6 0 0 0 | + | 5 7 1 6 0 0 0 |
− | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
− | 9 8 1 6 0 0 0 | + | 9 8 1 6 0 0 0 |
− | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
− | 6 10 1 0 0 0 0 | + | 6 10 1 0 0 0 0 |
− | 9 11 1 0 0 0 0 | + | 9 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 |
− | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
− | 10 14 1 1 0 0 0 | + | 10 14 1 1 0 0 0 |
− | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
− | 17 16 1 1 0 0 0 | + | 17 16 1 1 0 0 0 |
− | 12 17 1 6 0 0 0 | + | 12 17 1 6 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 |
− | 17 21 1 0 0 0 0 | + | 17 21 1 0 0 0 0 |
− | 11 15 1 1 0 0 0 | + | 11 15 1 1 0 0 0 |
− | 21 22 1 6 0 0 0 | + | 21 22 1 6 0 0 0 |
− | 6 23 1 1 0 0 0 | + | 6 23 1 1 0 0 0 |
− | 12 24 1 1 0 0 0 | + | 12 24 1 1 0 0 0 |
− | 8 25 1 6 0 0 0 | + | 8 25 1 6 0 0 0 |
− | 13 26 1 6 0 0 0 | + | 13 26 1 6 0 0 0 |
− | 18 27 1 0 0 0 0 | + | 18 27 1 0 0 0 0 |
− | 18 28 2 0 0 0 0 | + | 18 28 2 0 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID LBST04010395 | + | ID LBST04010395 |
− | FORMULA C24H38O4 | + | FORMULA C24H38O4 |
− | EXACTMASS 390.27700970399997 | + | EXACTMASS 390.27700970399997 |
− | AVERAGEMASS 390.55611999999996 | + | AVERAGEMASS 390.55611999999996 |
− | SMILES C([C@H](O)4)[C@H]([C@@](C)21)[C@H]([C@@H]([C@@]34C)CC[C@H]([C@H](C)CCC(O)=O)3)[C@H](O)C[C@@H]1CC=CC2 | + | SMILES C([C@H](O)4)[C@H]([C@@](C)21)[C@H]([C@@H]([C@@]34C)CC[C@H]([C@H](C)CCC(O)=O)3)[C@H](O)C[C@@H]1CC=CC2 |
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 31 0 0 0 0 0 0 0 0999 V2000 5.4641 3.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 4.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 3.5548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 3.0548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 3.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7321 1.5548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 2.0548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7321 0.5548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 0.0548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 0.5548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 1.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9889 -0.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3956 -1.0278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3902 -0.9233 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1104 -4.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4194 -3.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7503 -2.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0593 -1.6664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0374 -1.4585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.4452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.0548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1322 -4.5196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7795 -5.0548 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 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 6 0 0 0 5 7 1 6 0 0 0 7 8 1 0 0 0 0 9 8 1 6 0 0 0 9 10 1 0 0 0 0 6 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 10 14 1 1 0 0 0 15 16 1 0 0 0 0 17 16 1 1 0 0 0 12 17 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 17 21 1 0 0 0 0 11 15 1 1 0 0 0 21 22 1 6 0 0 0 6 23 1 1 0 0 0 12 24 1 1 0 0 0 8 25 1 6 0 0 0 13 26 1 6 0 0 0 18 27 1 0 0 0 0 18 28 2 0 0 0 0 S SKP 5 ID LBST04010395 FORMULA C24H38O4 EXACTMASS 390.27700970399997 AVERAGEMASS 390.55611999999996 SMILES C([C@H](O)4)[C@H]([C@@](C)21)[C@H]([C@@H]([C@@]34C)CC[C@H]([C@H](C)CCC(O)=O)3)[C@H](O)C[C@@H]1CC=CC2 M END