Mol:FL4DA9NI0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.5764 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5764 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0555 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0555 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5346 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5346 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5346 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5346 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0555 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0555 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5764 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5764 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0137 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0137 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5072 -0.9016 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.5072 -0.9016 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 0.5072 -0.3001 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 0.5072 -0.3001 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -0.0137 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0137 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0275 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0275 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0137 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0137 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5619 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5619 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0962 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0962 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0962 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0962 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5619 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5619 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0275 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0275 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0275 -1.2020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0275 -1.2020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0555 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0555 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0555 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0555 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5759 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5759 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5759 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5759 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0962 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0962 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0555 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0555 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9336 0.3186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9336 0.3186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4336 1.1846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4336 1.1846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 8 18 1 1 0 0 0 | + | 8 18 1 1 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 6 25 1 0 0 0 0 | + | 6 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 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 25 26 | + | M SAL 1 2 25 26 |
| − | M SBL 1 1 27 | + | M SBL 1 1 27 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 27 -1.9336 0.3186 | + | M SVB 1 27 -1.9336 0.3186 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DA9NI0003 | + | ID FL4DA9NI0003 |
| − | KNApSAcK_ID C00008610 | + | KNApSAcK_ID C00008610 |
| − | NAME Leaserone | + | NAME Leaserone |
| − | CAS_RN 15508-94-8 | + | CAS_RN 15508-94-8 |
| − | FORMULA C21H22O5 | + | FORMULA C21H22O5 |
| − | EXACTMASS 354.146723814 | + | EXACTMASS 354.146723814 |
| − | AVERAGEMASS 354.39638 | + | AVERAGEMASS 354.39638 |
| − | SMILES COc(c3)c(c(c(c(O)3)2)O[C@@H]([C@H](C2=O)O)c(c1)cccc1)CC=C(C)C | + | SMILES COc(c3)c(c(c(c(O)3)2)O[C@@H]([C@H](C2=O)O)c(c1)cccc1)CC=C(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-1.5764 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0555 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5346 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5346 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0555 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5764 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0137 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5072 -0.9016 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.5072 -0.3001 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.0137 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0275 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0137 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5619 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0962 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0962 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5619 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0275 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0275 -1.2020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0555 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0555 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5759 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5759 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0962 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0555 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9336 0.3186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4336 1.1846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 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 4 1 0 0 0 0
9 11 1 6 0 0 0
7 12 2 0 0 0 0
11 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 17 2 0 0 0 0
17 11 1 0 0 0 0
8 18 1 1 0 0 0
2 19 1 0 0 0 0
5 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
6 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 27
M SMT 1 OCH3
M SVB 1 27 -1.9336 0.3186
S SKP 8
ID FL4DA9NI0003
KNApSAcK_ID C00008610
NAME Leaserone
CAS_RN 15508-94-8
FORMULA C21H22O5
EXACTMASS 354.146723814
AVERAGEMASS 354.39638
SMILES COc(c3)c(c(c(c(O)3)2)O[C@@H]([C@H](C2=O)O)c(c1)cccc1)CC=C(C)C
M END
