Mol:LBST04010219
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 |
| − | 4.5981 3.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 3.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 4.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 4.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 4.5548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.7321 4.5548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 4.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 4.0548 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 3.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 2.5548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.7321 2.5548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 2.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 2.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 1.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 1.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 1.0548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 2.8660 1.0548 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 |
| − | 2.8660 0.0548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.8660 0.0548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -0.4452 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.7321 -0.4452 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 | + | 4.5981 0.0548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 1.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1229 -0.6143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1229 -0.6143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5296 -1.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5296 -1.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5241 -1.4233 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.5241 -1.4233 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 4.2444 -4.8117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2444 -4.8117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5534 -3.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5534 -3.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8843 -3.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8843 -3.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1933 -2.1664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.1933 -2.1664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 5.1714 -1.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1714 -1.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 2.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 2.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -0.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -0.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 5.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 5.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -0.4452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -0.4452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2662 -5.0196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2662 -5.0196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9135 -5.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9135 -5.5548 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 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 2 0 0 0 0 | + | 5 7 2 0 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 |
| − | 3 25 1 1 0 0 0 | + | 3 25 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 |
| − | 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 LBST04010219 | + | ID LBST04010219 |
| − | FORMULA C24H38O4 | + | FORMULA C24H38O4 |
| − | EXACTMASS 390.27700970399997 | + | EXACTMASS 390.27700970399997 |
| − | AVERAGEMASS 390.55611999999996 | + | AVERAGEMASS 390.55611999999996 |
| − | SMILES C[C@H](CCC(O)=O)[C@@H](C4)[C@]([C@H]3C4)([C@H](C[C@@H]([C@@H]23)[C@](C1)(C)C(=CC2)C[C@@H](O)C1)O)C | + | SMILES C[C@H](CCC(O)=O)[C@@H](C4)[C@]([C@H]3C4)([C@H](C[C@@H]([C@@H]23)[C@](C1)(C)C(=CC2)C[C@@H](O)C1)O)C |
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
4.5981 3.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 4.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 4.5548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8660 4.0548 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
3.7321 2.5548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.0000 2.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.0548 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
2.8660 0.0548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7321 -0.4452 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
4.5981 1.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1229 -0.6143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5296 -1.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5241 -1.4233 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.2444 -4.8117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5534 -3.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8843 -3.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1933 -2.1664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.1714 -1.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 5.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.4452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2662 -5.0196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9135 -5.5548 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 6 1 0 0 0 0
6 1 1 6 0 0 0
5 7 2 0 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
3 25 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
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 LBST04010219
FORMULA C24H38O4
EXACTMASS 390.27700970399997
AVERAGEMASS 390.55611999999996
SMILES C[C@H](CCC(O)=O)[C@@H](C4)[C@]([C@H]3C4)([C@H](C[C@@H]([C@@H]23)[C@](C1)(C)C(=CC2)C[C@@H](O)C1)O)C
M END
