Mol:FL2FQUNM0001
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 |
| − | -2.4197 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4197 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4197 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4197 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8634 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8634 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3070 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3070 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3070 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3070 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8634 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8634 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7507 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7507 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1944 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1944 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1944 -0.1760 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.1944 -0.1760 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.7507 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7507 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3617 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3617 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9286 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9286 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4956 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4956 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4956 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4956 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9286 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9286 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3617 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3617 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7507 -1.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7507 -1.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8634 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8634 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8634 0.7873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8634 0.7873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9286 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9286 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9286 -0.8367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9286 -0.8367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0624 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0624 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7769 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7769 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7769 0.4428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7769 0.4428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2768 1.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2768 1.3089 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 1 0 0 0 0 | + | 11 12 1 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 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 15 20 2 0 0 0 0 | + | 15 20 2 0 0 0 0 |
| − | 12 21 2 0 0 0 0 | + | 12 21 2 0 0 0 0 |
| − | 14 22 1 0 0 0 0 | + | 14 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 26 | + | M SBL 2 1 26 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 26 -2.7769 0.4428 | + | M SVB 2 26 -2.7769 0.4428 |
| − | 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 24 | + | M SBL 1 1 24 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 24 2.0624 1.127 | + | M SVB 1 24 2.0624 1.127 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FQUNM0001 | + | ID FL2FQUNM0001 |
| − | KNApSAcK_ID C00008363 | + | KNApSAcK_ID C00008363 |
| − | NAME Breverin | + | NAME Breverin |
| − | CAS_RN 41407-48-1 | + | CAS_RN 41407-48-1 |
| − | FORMULA C18H16O7 | + | FORMULA C18H16O7 |
| − | EXACTMASS 344.089602866 | + | EXACTMASS 344.089602866 |
| − | AVERAGEMASS 344.31543999999997 | + | AVERAGEMASS 344.31543999999997 |
| − | SMILES c(c(C(O2)CC(c(c(O)3)c2c(c(OC)c3)C)=O)1)(=O)cc(OC)c(=O)c1 | + | SMILES c(c(C(O2)CC(c(c(O)3)c2c(c(OC)c3)C)=O)1)(=O)cc(OC)c(=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 27 0 0 0 0 0 0 0 0999 V2000
-2.4197 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4197 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8634 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3070 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3070 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8634 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1944 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1944 -0.1760 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.7507 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3617 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4956 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4956 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3617 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 -1.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8634 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8634 0.7873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 -0.8367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0624 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7769 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7769 0.4428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2768 1.3089 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 1 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 1 0 0 0 0
16 11 2 0 0 0 0
7 17 2 0 0 0 0
3 18 1 0 0 0 0
6 19 1 0 0 0 0
15 20 2 0 0 0 0
12 21 2 0 0 0 0
14 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 26
M SMT 2 OCH3
M SVB 2 26 -2.7769 0.4428
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 24
M SMT 1 OCH3
M SVB 1 24 2.0624 1.127
S SKP 8
ID FL2FQUNM0001
KNApSAcK_ID C00008363
NAME Breverin
CAS_RN 41407-48-1
FORMULA C18H16O7
EXACTMASS 344.089602866
AVERAGEMASS 344.31543999999997
SMILES c(c(C(O2)CC(c(c(O)3)c2c(c(OC)c3)C)=O)1)(=O)cc(OC)c(=O)c1
M END
