Mol:LBST03010036
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 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | 8.5446 0.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.5446 0.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.5446 -0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.5446 -0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.6786 -0.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.6786 -0.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.8126 -0.1606 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 6.8126 -0.1606 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 6.8126 0.8394 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 6.8126 0.8394 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 7.6786 1.3394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.6786 1.3394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.8615 -0.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8615 -0.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2737 0.3394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2737 0.3394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.8615 1.1484 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 5.8615 1.1484 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 7.6786 -1.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.6786 -1.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.8126 -2.1606 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 6.8126 -2.1606 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 6.8126 -3.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.8126 -3.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.8126 1.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.8126 1.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2653 3.2585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2653 3.2585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5743 2.3074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5743 2.3074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5525 2.0995 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.5525 2.0995 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.6473 5.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6473 5.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9781 4.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9781 4.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2872 3.4664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.2872 3.4664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 5.9465 -3.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9465 -3.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.9465 -4.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9465 -4.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.8126 -5.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.8126 -5.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.6786 -4.6606 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 7.6786 -4.6606 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 7.6786 -3.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.6786 -3.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.2216 2.8426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2216 2.8426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 4.6253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 4.6253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0805 -3.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0805 -3.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6180 2.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6180 2.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.5446 -5.1606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.5446 -5.1606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.9465 -1.6606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9465 -1.6606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0805 -2.1606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0805 -2.1606 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 |
| − | 3 10 2 0 0 0 0 | + | 3 10 2 0 0 0 0 |
| − | 5 13 1 6 0 0 0 | + | 5 13 1 6 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 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 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 12 20 2 0 0 0 0 | + | 12 20 2 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 12 24 1 0 0 0 0 | + | 12 24 1 0 0 0 0 |
| − | 9 16 1 0 0 0 0 | + | 9 16 1 0 0 0 0 |
| − | 16 25 1 1 0 0 0 | + | 16 25 1 1 0 0 0 |
| − | 18 26 1 0 0 0 0 | + | 18 26 1 0 0 0 0 |
| − | 23 29 1 1 0 0 0 | + | 23 29 1 1 0 0 0 |
| − | 11 30 1 6 0 0 0 | + | 11 30 1 6 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 27 1 0 0 0 0 | + | 31 27 1 0 0 0 0 |
| − | 20 27 1 0 0 0 0 | + | 20 27 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 19 28 1 6 0 0 0 | + | 19 28 1 6 0 0 0 |
| − | 11 10 1 0 0 0 0 | + | 11 10 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBST03010036 | + | ID LBST03010036 |
| − | FORMULA C28H44O3 | + | FORMULA C28H44O3 |
| − | EXACTMASS 428.329045274 | + | EXACTMASS 428.329045274 |
| − | AVERAGEMASS 428.64716 | + | AVERAGEMASS 428.64716 |
| − | SMILES [C@H](C)(C=C[C@@H](C(C)C)C)[C@H]([C@]4(C)1)CC[C@H]1C(CCC4)=C[C@H](C3=2)OOCC(CC[C@@H](C3)O)2 | + | SMILES [C@H](C)(C=C[C@@H](C(C)C)C)[C@H]([C@]4(C)1)CC[C@H]1C(CCC4)=C[C@H](C3=2)OOCC(CC[C@@H](C3)O)2 |
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 34 0 0 0 0 0 0 0 0999 V2000
8.5446 0.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5446 -0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6786 -0.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8126 -0.1606 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.8126 0.8394 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.6786 1.3394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8615 -0.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2737 0.3394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8615 1.1484 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.6786 -1.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8126 -2.1606 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.8126 -3.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8126 1.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2653 3.2585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5743 2.3074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5525 2.0995 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.6473 5.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9781 4.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2872 3.4664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.9465 -3.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9465 -4.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8126 -5.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6786 -4.6606 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.6786 -3.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2216 2.8426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 4.6253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0805 -3.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6180 2.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5446 -5.1606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9465 -1.6606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0805 -2.1606 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
3 10 2 0 0 0 0
5 13 1 6 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
14 19 1 0 0 0 0
12 20 2 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
12 24 1 0 0 0 0
9 16 1 0 0 0 0
16 25 1 1 0 0 0
18 26 1 0 0 0 0
23 29 1 1 0 0 0
11 30 1 6 0 0 0
30 31 1 0 0 0 0
31 27 1 0 0 0 0
20 27 1 0 0 0 0
11 12 1 0 0 0 0
19 28 1 6 0 0 0
11 10 1 0 0 0 0
S SKP 5
ID LBST03010036
FORMULA C28H44O3
EXACTMASS 428.329045274
AVERAGEMASS 428.64716
SMILES [C@H](C)(C=C[C@@H](C(C)C)C)[C@H]([C@]4(C)1)CC[C@H]1C(CCC4)=C[C@H](C3=2)OOCC(CC[C@@H](C3)O)2
M END
