Mol:FLIG1LNI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 31 0 0 0 0 0 0 0 0999 V2000 | + | 28 31 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.5987 0.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5987 0.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5987 0.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5987 0.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0424 -0.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0424 -0.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4861 0.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4861 0.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4861 0.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4861 0.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0424 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0424 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9298 -0.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9298 -0.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3735 0.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3735 0.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3735 0.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3735 0.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9298 1.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9298 1.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1826 -0.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1826 -0.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1826 -0.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1826 -0.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7774 -1.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7774 -1.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3722 -0.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3722 -0.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3722 -0.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3722 -0.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7774 0.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7774 0.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9298 -0.8643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9298 -0.8643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9664 -1.2519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9664 -1.2519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1548 1.0624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1548 1.0624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7838 0.7414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7838 0.7414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9664 0.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9664 0.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9664 0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9664 0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5606 1.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5606 1.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1548 0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1548 0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5606 1.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5606 1.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0424 -0.8643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0424 -0.8643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3600 -1.4238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3600 -1.4238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0745 -1.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0745 -1.8363 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 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 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 9 20 1 0 0 0 0 | + | 9 20 1 0 0 0 0 |
| − | 20 16 1 0 0 0 0 | + | 20 16 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 3 26 1 0 0 0 0 | + | 3 26 1 0 0 0 0 |
| − | 13 27 1 0 0 0 0 | + | 13 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 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 27 28 | + | M SAL 1 2 27 28 |
| − | M SBL 1 1 30 | + | M SBL 1 1 30 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 30 -6.7451 4.0348 | + | M SBV 1 30 -6.7451 4.0348 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIG1LNI0001 | + | ID FLIG1LNI0001 |
| − | KNApSAcK_ID C00009531 | + | KNApSAcK_ID C00009531 |
| − | NAME Lisetin | + | NAME Lisetin |
| − | CAS_RN 6502-79-0 | + | CAS_RN 6502-79-0 |
| − | FORMULA C21H18O7 | + | FORMULA C21H18O7 |
| − | EXACTMASS 382.10525293 | + | EXACTMASS 382.10525293 |
| − | AVERAGEMASS 382.36342 | + | AVERAGEMASS 382.36342 |
| − | SMILES c(c4OC)c(c3c(c4O)CC=C(C)C)c(c2o3)C(=O)c(c(O2)1)c(cc(O)c1)O | + | SMILES c(c4OC)c(c3c(c4O)CC=C(C)C)c(c2o3)C(=O)c(c(O2)1)c(cc(O)c1)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 31 0 0 0 0 0 0 0 0999 V2000
-2.5987 0.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5987 0.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0424 -0.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4861 0.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4861 0.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0424 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9298 -0.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3735 0.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3735 0.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9298 1.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1826 -0.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1826 -0.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7774 -1.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3722 -0.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3722 -0.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7774 0.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9298 -0.8643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9664 -1.2519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1548 1.0624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7838 0.7414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9664 0.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9664 0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5606 1.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1548 0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5606 1.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0424 -0.8643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3600 -1.4238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0745 -1.8363 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
8 11 1 0 0 0 0
11 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 11 2 0 0 0 0
7 17 2 0 0 0 0
14 18 1 0 0 0 0
1 19 1 0 0 0 0
9 20 1 0 0 0 0
20 16 1 0 0 0 0
15 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
3 26 1 0 0 0 0
13 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 27 28
M SBL 1 1 30
M SMT 1 OCH3
M SBV 1 30 -6.7451 4.0348
S SKP 8
ID FLIG1LNI0001
KNApSAcK_ID C00009531
NAME Lisetin
CAS_RN 6502-79-0
FORMULA C21H18O7
EXACTMASS 382.10525293
AVERAGEMASS 382.36342
SMILES c(c4OC)c(c3c(c4O)CC=C(C)C)c(c2o3)C(=O)c(c(O2)1)c(cc(O)c1)O
M END
