Mol:FL2FECNS0002
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 |
| − | -1.9630 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9630 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9630 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9630 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8504 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8504 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8504 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8504 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2622 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2622 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2622 -0.1713 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.2622 -0.1713 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8183 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9523 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9523 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9523 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9523 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8183 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 -1.6786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -1.6786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9523 0.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9523 0.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5191 -1.1347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5191 -1.1347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8431 -1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8431 -1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1286 -1.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1286 -1.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6687 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6687 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1101 2.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1101 2.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3202 0.4474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3202 0.4474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8202 1.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8202 1.3134 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 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 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 |
| − | 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 1 24 1 0 0 0 0 | + | 1 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 -2.3202 0.4474 | + | M SVB 3 26 -2.3202 0.4474 |
| − | 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 1.6687 1.7079 | + | M SVB 2 24 1.6687 1.7079 |
| − | 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 -1.8431 -1.2954 | + | M SVB 1 22 -1.8431 -1.2954 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FECNS0002 | + | ID FL2FECNS0002 |
| − | KNApSAcK_ID C00008309 | + | KNApSAcK_ID C00008309 |
| − | NAME Agestricin D | + | NAME Agestricin D |
| − | CAS_RN 85563-76-4 | + | CAS_RN 85563-76-4 |
| − | FORMULA C18H18O7 | + | FORMULA C18H18O7 |
| − | EXACTMASS 346.10525293 | + | EXACTMASS 346.10525293 |
| − | AVERAGEMASS 346.33132 | + | AVERAGEMASS 346.33132 |
| − | SMILES O(C(c(c3)cc(OC)c(O)c3)2)c(c(C(=O)C2)1)cc(c(c1OC)O)OC | + | SMILES O(C(c(c3)cc(OC)c(O)c3)2)c(c(C(=O)C2)1)cc(c(c1OC)O)OC |
M END | M END | ||
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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
-1.9630 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9630 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -0.1713 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.2941 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -1.6786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9523 0.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5191 -1.1347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8431 -1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1286 -1.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6687 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1101 2.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3202 0.4474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8202 1.3134 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 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 11 1 0 0 0 0
7 17 2 0 0 0 0
14 18 1 0 0 0 0
2 19 1 0 0 0 0
3 20 1 0 0 0 0
20 21 1 0 0 0 0
15 22 1 0 0 0 0
22 23 1 0 0 0 0
1 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 -2.3202 0.4474
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 1.6687 1.7079
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 -1.8431 -1.2954
S SKP 8
ID FL2FECNS0002
KNApSAcK_ID C00008309
NAME Agestricin D
CAS_RN 85563-76-4
FORMULA C18H18O7
EXACTMASS 346.10525293
AVERAGEMASS 346.33132
SMILES O(C(c(c3)cc(OC)c(O)c3)2)c(c(C(=O)C2)1)cc(c(c1OC)O)OC
M END
