Mol:LBST03020065
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 |
| − | 8.5175 0.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.5175 0.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.5175 -0.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.5175 -0.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.6515 -0.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.6515 -0.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.7855 -0.2645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 6.7855 -0.2645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 6.7855 0.7355 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 6.7855 0.7355 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 7.6515 1.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.6515 1.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.8344 -0.5736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8344 -0.5736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2466 0.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2466 0.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.8344 1.0445 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 5.8344 1.0445 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 8.5175 -2.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.5175 -2.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.6515 -1.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.6515 -1.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.5175 -3.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.5175 -3.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.3835 -3.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.3835 -3.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.2496 -3.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.2496 -3.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.6515 -3.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.6515 -3.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.6515 -4.7645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 7.6515 -4.7645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 8.5175 -5.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.5175 -5.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.3835 -4.7645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 9.3835 -4.7645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 5.5254 1.9955 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 5.5254 1.9955 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 6.7855 1.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.7855 1.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2382 3.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2382 3.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9021 4.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9021 4.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9511 4.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9511 4.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2601 3.3624 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.2601 3.3624 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 4.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 4.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1945 2.7387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1945 2.7387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.2496 -5.2645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.2496 -5.2645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.7855 -5.2645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.7855 -5.2645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5472 2.2035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5472 2.2035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6420 5.2645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6420 5.2645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5909 2.6193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5909 2.6193 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 |
| − | 5 4 1 0 0 0 0 | + | 5 4 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 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 19 26 1 1 0 0 0 | + | 19 26 1 1 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 24 31 1 1 0 0 0 | + | 24 31 1 1 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBST03020065 | + | ID LBST03020065 |
| − | 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(C2)[C@@H]([C@@](CC2)(C)1)CC[C@@H]1[C@H](C)OC[C@@H](O)C(C)(C)O | + | SMILES [C@@H](O)(C3)C(=C)C(C[C@@H](O)3)=CC=C(C2)[C@@H]([C@@](CC2)(C)1)CC[C@@H]1[C@H](C)OC[C@@H](O)C(C)(C)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/
31 33 0 0 0 0 0 0 0 0999 V2000
8.5175 0.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5175 -0.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6515 -0.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7855 -0.2645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.7855 0.7355 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.6515 1.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8344 -0.5736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2466 0.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8344 1.0445 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.5175 -2.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6515 -1.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5175 -3.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3835 -3.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2496 -3.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6515 -3.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6515 -4.7645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.5175 -5.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3835 -4.7645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.5254 1.9955 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.7855 1.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2382 3.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9021 4.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 4.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2601 3.3624 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.0000 4.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1945 2.7387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2496 -5.2645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7855 -5.2645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5472 2.2035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6420 5.2645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5909 2.6193 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
5 4 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
23 24 1 0 0 0 0
21 24 1 0 0 0 0
23 25 1 0 0 0 0
19 26 1 1 0 0 0
23 30 1 0 0 0 0
24 31 1 1 0 0 0
S SKP 5
ID LBST03020065
FORMULA C26H42O5
EXACTMASS 434.303224454
AVERAGEMASS 434.60868
SMILES [C@@H](O)(C3)C(=C)C(C[C@@H](O)3)=CC=C(C2)[C@@H]([C@@](CC2)(C)1)CC[C@@H]1[C@H](C)OC[C@@H](O)C(C)(C)O
M END
