Mol:FL2FALNI0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 34 0 0 0 0 0 0 0 0999 V2000 | + | 32 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.3701 0.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3701 0.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3701 -0.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3701 -0.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1862 -0.8054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1862 -0.8054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7425 -0.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7425 -0.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7425 0.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7425 0.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1862 0.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1862 0.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2988 -0.8054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2988 -0.8054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8551 -0.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8551 -0.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8551 0.1581 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.8551 0.1581 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 1.2988 0.4793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2988 0.4793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4112 0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4112 0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9781 0.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9781 0.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5451 0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5451 0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5451 1.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5451 1.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9781 1.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9781 1.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4112 1.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4112 1.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2988 -1.3492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2988 -1.3492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1862 -1.4475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1862 -1.4475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1121 1.4612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1121 1.4612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3387 -1.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3387 -1.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8948 -0.7936 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -1.8948 -0.7936 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -2.4497 -1.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4497 -1.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9264 0.4793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9264 0.4793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8948 -0.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8948 -0.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4486 0.1669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4486 0.1669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3411 0.1669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3411 0.1669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0047 -0.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0047 -0.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5584 -1.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5584 -1.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5584 -1.7526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5584 -1.7526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1121 -0.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1121 -0.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0539 1.7526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0539 1.7526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5538 2.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5538 2.6186 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 19 14 1 0 0 0 0 | + | 19 14 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 23 1 1 0 0 0 0 | + | 23 1 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 22 27 1 0 0 0 0 | + | 22 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 16 31 1 0 0 0 0 | + | 16 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 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 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 33 | + | M SBL 1 1 33 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 33 2.0539 1.7526 | + | M SVB 1 33 2.0539 1.7526 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FALNI0003 | + | ID FL2FALNI0003 |
| − | KNApSAcK_ID C00008335 | + | KNApSAcK_ID C00008335 |
| − | NAME Isokurarinone | + | NAME Isokurarinone |
| − | CAS_RN 52483-02-0 | + | CAS_RN 52483-02-0 |
| − | FORMULA C26H30O6 | + | FORMULA C26H30O6 |
| − | EXACTMASS 438.204238692 | + | EXACTMASS 438.204238692 |
| − | AVERAGEMASS 438.51279999999997 | + | AVERAGEMASS 438.51279999999997 |
| − | SMILES c(c(O)1)(C(=O)2)c(OC(c(c3OC)ccc(O)c3)C2)cc(c1CC(C(C)=C)CC=C(C)C)O | + | SMILES c(c(O)1)(C(=O)2)c(OC(c(c3OC)ccc(O)c3)C2)cc(c1CC(C(C)=C)CC=C(C)C)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 34 0 0 0 0 0 0 0 0999 V2000
-0.3701 0.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3701 -0.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1862 -0.8054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7425 -0.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7425 0.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1862 0.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2988 -0.8054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8551 -0.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8551 0.1581 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.2988 0.4793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4112 0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9781 0.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5451 0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5451 1.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9781 1.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4112 1.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2988 -1.3492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1862 -1.4475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1121 1.4612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3387 -1.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8948 -0.7936 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.4497 -1.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9264 0.4793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8948 -0.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4486 0.1669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3411 0.1669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0047 -0.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5584 -1.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5584 -1.7526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1121 -0.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0539 1.7526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5538 2.6186 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
3 18 1 0 0 0 0
19 14 1 0 0 0 0
2 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
23 1 1 0 0 0 0
21 24 1 0 0 0 0
24 25 2 0 0 0 0
24 26 1 0 0 0 0
22 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
16 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 33
M SMT 1 OCH3
M SVB 1 33 2.0539 1.7526
S SKP 8
ID FL2FALNI0003
KNApSAcK_ID C00008335
NAME Isokurarinone
CAS_RN 52483-02-0
FORMULA C26H30O6
EXACTMASS 438.204238692
AVERAGEMASS 438.51279999999997
SMILES c(c(O)1)(C(=O)2)c(OC(c(c3OC)ccc(O)c3)C2)cc(c1CC(C(C)=C)CC=C(C)C)O
M END
