Mol:FL4DADNP0001
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 |
| − | -1.3102 -0.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3102 -0.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7893 -1.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7893 -1.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2685 -0.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2685 -0.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2685 -0.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2685 -0.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7893 0.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7893 0.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3102 -0.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3102 -0.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2524 -1.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2524 -1.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7733 -0.7521 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.7733 -0.7521 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 0.7733 -0.1506 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 0.7733 -0.1506 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 0.2524 0.1501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2524 0.1501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2524 -1.5767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2524 -1.5767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7893 -1.6537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7893 -1.6537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3574 0.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3574 0.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8793 -0.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8793 -0.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4012 0.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4012 0.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4012 0.7892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4012 0.7892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8793 1.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8793 1.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3574 0.7892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3574 0.7892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4012 0.7892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4012 0.7892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3094 -1.2882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3094 -1.2882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8311 0.1501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8311 0.1501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3520 -0.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3520 -0.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3520 -0.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3520 -0.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8311 -1.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8311 -1.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7507 0.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7507 0.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9231 -0.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9231 -0.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1403 1.6537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1403 1.6537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5608 2.5610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5608 2.5610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 2 12 1 0 0 0 0 | + | 2 12 1 0 0 0 0 |
| − | 9 13 1 6 0 0 0 | + | 9 13 1 6 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 8 20 1 1 0 0 0 | + | 8 20 1 1 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 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 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 1 1 0 0 0 0 | + | 24 1 1 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | 22 26 1 0 0 0 0 | + | 22 26 1 0 0 0 0 |
| − | 17 27 1 0 0 0 0 | + | 17 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 27 28 | + | M SAL 1 2 27 28 |
| − | M SBL 1 1 30 | + | M SBL 1 1 30 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 30 2.1403 1.6537 | + | M SVB 1 30 2.1403 1.6537 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DADNP0001 | + | ID FL4DADNP0001 |
| − | KNApSAcK_ID C00008639 | + | KNApSAcK_ID C00008639 |
| − | NAME Eriotrinol | + | NAME Eriotrinol |
| − | CAS_RN 151590-49-7 | + | CAS_RN 151590-49-7 |
| − | FORMULA C21H20O7 | + | FORMULA C21H20O7 |
| − | EXACTMASS 384.120902994 | + | EXACTMASS 384.120902994 |
| − | AVERAGEMASS 384.37929999999994 | + | AVERAGEMASS 384.37929999999994 |
| − | SMILES O([C@H](c(c4)cc(c(O)c4)OC)3)c(c(C([C@H](O)3)=O)2)cc(c1c2O)OC(C=C1)(C)C | + | SMILES O([C@H](c(c4)cc(c(O)c4)OC)3)c(c(C([C@H](O)3)=O)2)cc(c1c2O)OC(C=C1)(C)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
-1.3102 -0.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7893 -1.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2685 -0.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2685 -0.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7893 0.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3102 -0.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2524 -1.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7733 -0.7521 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.7733 -0.1506 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
0.2524 0.1501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2524 -1.5767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7893 -1.6537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3574 0.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8793 -0.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4012 0.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4012 0.7892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8793 1.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3574 0.7892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4012 0.7892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3094 -1.2882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8311 0.1501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3520 -0.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3520 -0.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8311 -1.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7507 0.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9231 -0.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1403 1.6537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5608 2.5610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 4 1 0 0 0 0
7 11 2 0 0 0 0
2 12 1 0 0 0 0
9 13 1 6 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
16 19 1 0 0 0 0
8 20 1 1 0 0 0
6 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 1 1 0 0 0 0
22 25 1 0 0 0 0
22 26 1 0 0 0 0
17 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 27 28
M SBL 1 1 30
M SMT 1 OCH3
M SVB 1 30 2.1403 1.6537
S SKP 8
ID FL4DADNP0001
KNApSAcK_ID C00008639
NAME Eriotrinol
CAS_RN 151590-49-7
FORMULA C21H20O7
EXACTMASS 384.120902994
AVERAGEMASS 384.37929999999994
SMILES O([C@H](c(c4)cc(c(O)c4)OC)3)c(c(C([C@H](O)3)=O)2)cc(c1c2O)OC(C=C1)(C)C
M END
