Mol:FL2FECNS0004
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 28 0 0 0 0 0 0 0 0999 V2000 | + | 25 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8967 -0.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8967 -0.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8967 -0.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8967 -0.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3404 -1.1737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3404 -1.1737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7840 -0.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7840 -0.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7840 -0.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7840 -0.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3404 0.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3404 0.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2277 -1.1737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2277 -1.1737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3286 -0.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3286 -0.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3286 -0.2102 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.3286 -0.2102 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.2277 0.1110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2277 0.1110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8847 0.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8847 0.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4516 -0.2165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4516 -0.2165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0186 0.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0186 0.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0186 0.7656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0186 0.7656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4516 1.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4516 1.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8847 0.7656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8847 0.7656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2277 -1.7175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2277 -1.7175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4528 -1.1736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4528 -1.1736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4528 1.1997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4528 1.1997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1740 1.7468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1740 1.7468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5676 1.6507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5676 1.6507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7768 -1.3343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7768 -1.3343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0623 -1.7468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0623 -1.7468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2539 0.4086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2539 0.4086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7538 1.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7538 1.2747 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 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 15 1 0 0 0 0 | + | 21 15 1 0 0 0 0 |
| − | 3 22 1 0 0 0 0 | + | 3 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 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 24 25 | + | M SAL 2 2 24 25 |
| − | M SBL 2 1 27 | + | M SBL 2 1 27 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 27 -2.2539 0.4086 | + | M SVB 2 27 -2.2539 0.4086 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 22 23 | + | M SAL 1 2 22 23 |
| − | M SBL 1 1 25 | + | M SBL 1 1 25 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 25 -1.7768 -1.3343 | + | M SVB 1 25 -1.7768 -1.3343 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FECNS0004 | + | ID FL2FECNS0004 |
| − | KNApSAcK_ID C00008311 | + | KNApSAcK_ID C00008311 |
| − | NAME Agestricin B | + | NAME Agestricin B |
| − | CAS_RN 85563-74-2 | + | CAS_RN 85563-74-2 |
| − | FORMULA C18H16O7 | + | FORMULA C18H16O7 |
| − | EXACTMASS 344.089602866 | + | EXACTMASS 344.089602866 |
| − | AVERAGEMASS 344.31543999999997 | + | AVERAGEMASS 344.31543999999997 |
| − | SMILES c(c41)(OCO4)ccc(C(O2)CC(c(c3OC)c2cc(c3O)OC)=O)c1 | + | SMILES c(c41)(OCO4)ccc(C(O2)CC(c(c3OC)c2cc(c3O)OC)=O)c1 |
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 28 0 0 0 0 0 0 0 0999 V2000
-1.8967 -0.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8967 -0.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3404 -1.1737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7840 -0.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7840 -0.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3404 0.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2277 -1.1737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3286 -0.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3286 -0.2102 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.2277 0.1110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8847 0.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4516 -0.2165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0186 0.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0186 0.7656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4516 1.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8847 0.7656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2277 -1.7175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4528 -1.1736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4528 1.1997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1740 1.7468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5676 1.6507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7768 -1.3343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0623 -1.7468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2539 0.4086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7538 1.2747 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
2 18 1 0 0 0 0
14 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 15 1 0 0 0 0
3 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 2 SUP
M SLB 1 2 2
M SAL 2 2 24 25
M SBL 2 1 27
M SMT 2 OCH3
M SVB 2 27 -2.2539 0.4086
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 25
M SMT 1 OCH3
M SVB 1 25 -1.7768 -1.3343
S SKP 8
ID FL2FECNS0004
KNApSAcK_ID C00008311
NAME Agestricin B
CAS_RN 85563-74-2
FORMULA C18H16O7
EXACTMASS 344.089602866
AVERAGEMASS 344.31543999999997
SMILES c(c41)(OCO4)ccc(C(O2)CC(c(c3OC)c2cc(c3O)OC)=O)c1
M END
