Mol:LBST03020067
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 33 0 0 0 0 0 0 0 0999 V2000 | + | 31 33 0 0 0 0 0 0 0 0999 V2000 |
| − | 8.8536 0.6315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.8536 0.6315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.8536 -0.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.8536 -0.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.9876 -0.8685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.9876 -0.8685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1216 -0.3685 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 7.1216 -0.3685 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 7.1216 0.6315 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 7.1216 0.6315 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 7.9876 1.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.9876 1.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1705 -0.6775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1705 -0.6775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5827 0.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5827 0.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1705 0.9405 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 6.1705 0.9405 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 8.8536 -2.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.8536 -2.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.9876 -1.8685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.9876 -1.8685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.8536 -3.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.8536 -3.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.7196 -3.8685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.7196 -3.8685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.5857 -3.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.5857 -3.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.9876 -3.8685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.9876 -3.8685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.9876 -4.8685 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 7.9876 -4.8685 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 8.8536 -5.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.8536 -5.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.7196 -4.8685 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 9.7196 -4.8685 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 5.8615 1.8916 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 5.8615 1.8916 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 7.1216 1.6315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1216 1.6315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5743 3.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5743 3.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2872 4.2095 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.2872 4.2095 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.5962 3.2585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5962 3.2585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.5306 2.6347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.5306 2.6347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9781 5.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9781 5.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5382 2.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5382 2.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.5857 -5.3685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.5857 -5.3685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1216 -5.3685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1216 -5.3685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8833 2.0995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8833 2.0995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 5.3685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 5.3685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3361 3.9005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3361 3.9005 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 1 0 0 0 | + | 5 6 1 1 0 0 0 |
| − | 1 6 1 0 0 0 0 | + | 1 6 1 0 0 0 0 |
| − | 4 7 1 6 0 0 0 | + | 4 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 |
| − | 5 9 1 0 0 0 0 | + | 5 9 1 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 3 11 2 0 0 0 0 | + | 3 11 2 0 0 0 0 |
| − | 10 12 2 0 0 0 0 | + | 10 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 12 15 1 0 0 0 0 | + | 12 15 1 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 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 |
| − | 13 18 1 0 0 0 0 | + | 13 18 1 0 0 0 0 |
| − | 9 19 1 0 0 0 0 | + | 9 19 1 0 0 0 0 |
| − | 5 20 1 6 0 0 0 | + | 5 20 1 6 0 0 0 |
| − | 18 27 1 1 0 0 0 | + | 18 27 1 1 0 0 0 |
| − | 16 28 1 6 0 0 0 | + | 16 28 1 6 0 0 0 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 19 29 1 0 0 0 0 | + | 19 29 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 19 24 1 1 0 0 0 | + | 19 24 1 1 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | 25 30 1 0 0 0 0 | + | 25 30 1 0 0 0 0 |
| − | 22 26 1 6 0 0 0 | + | 22 26 1 6 0 0 0 |
| − | 22 31 1 1 0 0 0 | + | 22 31 1 1 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBST03020067 | + | ID LBST03020067 |
| − | FORMULA C26H42O5 | + | FORMULA C26H42O5 |
| − | EXACTMASS 434.303224454 | + | EXACTMASS 434.303224454 |
| − | AVERAGEMASS 434.60868 | + | AVERAGEMASS 434.60868 |
| − | SMILES [C@@H](O)(C3)C(=C)C(C[C@@H](O)3)=CC=C([C@H]21)CCC[C@]1(C)[C@H](CC2)[C@H](C)OCC[C@@](C)(O)CO | + | SMILES [C@@H](O)(C3)C(=C)C(C[C@@H](O)3)=CC=C([C@H]21)CCC[C@]1(C)[C@H](CC2)[C@H](C)OCC[C@@](C)(O)CO |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 33 0 0 0 0 0 0 0 0999 V2000
8.8536 0.6315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8536 -0.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9876 -0.8685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1216 -0.3685 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1216 0.6315 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.9876 1.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1705 -0.6775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5827 0.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1705 0.9405 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.8536 -2.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9876 -1.8685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8536 -3.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7196 -3.8685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5857 -3.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9876 -3.8685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9876 -4.8685 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.8536 -5.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7196 -4.8685 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.8615 1.8916 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.1216 1.6315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5743 3.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2872 4.2095 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.5962 3.2585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5306 2.6347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9781 5.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5382 2.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5857 -5.3685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1216 -5.3685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8833 2.0995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 5.3685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3361 3.9005 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 1 0 0 0
1 6 1 0 0 0 0
4 7 1 6 0 0 0
7 8 1 0 0 0 0
9 8 1 6 0 0 0
5 9 1 0 0 0 0
10 11 1 0 0 0 0
3 11 2 0 0 0 0
10 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
12 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
13 18 1 0 0 0 0
9 19 1 0 0 0 0
5 20 1 6 0 0 0
18 27 1 1 0 0 0
16 28 1 6 0 0 0
21 29 1 0 0 0 0
19 29 1 0 0 0 0
22 23 1 0 0 0 0
21 23 1 0 0 0 0
19 24 1 1 0 0 0
22 25 1 0 0 0 0
25 30 1 0 0 0 0
22 26 1 6 0 0 0
22 31 1 1 0 0 0
S SKP 5
ID LBST03020067
FORMULA C26H42O5
EXACTMASS 434.303224454
AVERAGEMASS 434.60868
SMILES [C@@H](O)(C3)C(=C)C(C[C@@H](O)3)=CC=C([C@H]21)CCC[C@]1(C)[C@H](CC2)[C@H](C)OCC[C@@](C)(O)CO
M END
