Mol:FL3FG8NS0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.7744 -1.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7744 -1.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3781 -0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3781 -0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8702 -1.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8702 -1.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7586 -2.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7586 -2.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1549 -2.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1549 -2.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6628 -1.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6628 -1.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2507 -2.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2507 -2.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1391 -3.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1391 -3.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5355 -3.2782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5355 -3.2782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0434 -2.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0434 -2.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7213 -2.2546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7213 -2.2546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4240 -3.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4240 -3.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9255 -4.3314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9255 -4.3314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8119 -4.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8119 -4.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1967 -5.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1967 -5.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6951 -4.7793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6951 -4.7793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8088 -4.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8088 -4.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4735 -1.1608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4735 -1.1608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3074 -3.7138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3074 -3.7138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0709 -1.0632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0709 -1.0632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9140 -0.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9140 -0.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9416 -0.3945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9416 -0.3945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6560 -0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6560 -0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2195 -2.2771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2195 -2.2771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4765 -2.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4765 -2.9951 0.0000 C 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 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 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 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 17 19 1 0 0 0 0 | + | 17 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 6 24 1 0 0 0 0 | + | 6 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 24 25 | + | M SAL 3 2 24 25 |
| − | M SBL 3 1 26 | + | M SBL 3 1 26 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 26 -0.766 1.0455 | + | M SVB 3 26 -0.766 1.0455 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 22 23 | + | M SAL 2 2 22 23 |
| − | M SBL 2 1 24 | + | M SBL 2 1 24 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 24 -2.3149 -0.3996 | + | M SVB 2 24 -2.3149 -0.3996 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 20 21 | + | M SAL 1 2 20 21 |
| − | M SBL 1 1 22 | + | M SBL 1 1 22 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 22 -1.9576 0.77 | + | M SVB 1 22 -1.9576 0.77 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FG8NS0003 | + | ID FL3FG8NS0003 |
| − | KNApSAcK_ID C00003875 | + | KNApSAcK_ID C00003875 |
| − | NAME Tenaxin I | + | NAME Tenaxin I |
| − | CAS_RN 86926-52-5 | + | CAS_RN 86926-52-5 |
| − | FORMULA C18H16O7 | + | FORMULA C18H16O7 |
| − | EXACTMASS 344.089602866 | + | EXACTMASS 344.089602866 |
| − | AVERAGEMASS 344.31543999999997 | + | AVERAGEMASS 344.31543999999997 |
| − | SMILES O(C(c(c3)c(O)ccc3)=2)c(c1OC)c(C(=O)C2)c(c(c1OC)OC)O | + | SMILES O(C(c(c3)c(O)ccc3)=2)c(c1OC)c(C(=O)C2)c(c(c1OC)OC)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-0.7744 -1.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3781 -0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8702 -1.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7586 -2.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1549 -2.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6628 -1.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2507 -2.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1391 -3.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5355 -3.2782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0434 -2.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7213 -2.2546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4240 -3.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9255 -4.3314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8119 -4.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1967 -5.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6951 -4.7793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8088 -4.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4735 -1.1608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3074 -3.7138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0709 -1.0632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9140 -0.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9416 -0.3945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6560 -0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2195 -2.2771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4765 -2.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
3 18 1 0 0 0 0
17 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
2 22 1 0 0 0 0
22 23 1 0 0 0 0
6 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 24 25
M SBL 3 1 26
M SMT 3 OCH3
M SVB 3 26 -0.766 1.0455
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SVB 2 24 -2.3149 -0.3996
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 -1.9576 0.77
S SKP 8
ID FL3FG8NS0003
KNApSAcK_ID C00003875
NAME Tenaxin I
CAS_RN 86926-52-5
FORMULA C18H16O7
EXACTMASS 344.089602866
AVERAGEMASS 344.31543999999997
SMILES O(C(c(c3)c(O)ccc3)=2)c(c1OC)c(C(=O)C2)c(c(c1OC)OC)O
M END
