Mol:FL2FA9NI0008
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 |
| − | -1.6796 -0.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6796 -0.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6796 -0.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6796 -0.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1233 -1.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1233 -1.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5670 -0.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5670 -0.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5670 -0.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5670 -0.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1233 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1233 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0107 -1.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0107 -1.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5456 -0.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5456 -0.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5456 -0.3211 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.5456 -0.3211 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.0107 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0107 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1017 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1017 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6687 -0.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6687 -0.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2357 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2357 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2357 0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2357 0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6687 0.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6687 0.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1017 0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1017 0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0107 -1.8284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0107 -1.8284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1233 -1.9268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1233 -1.9268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1233 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1233 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6796 0.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6796 0.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6796 1.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6796 1.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2357 1.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2357 1.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1235 1.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1235 1.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0368 0.2976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0368 0.2976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5368 1.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5368 1.1636 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 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 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 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 24 25 | + | M SAL 1 2 24 25 |
| − | M SBL 1 1 26 | + | M SBL 1 1 26 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 26 -2.0368 0.2976 | + | M SVB 1 26 -2.0368 0.2976 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FA9NI0008 | + | ID FL2FA9NI0008 |
| − | KNApSAcK_ID C00008177 | + | KNApSAcK_ID C00008177 |
| − | NAME Tephrinone | + | NAME Tephrinone |
| − | CAS_RN 75350-44-6 | + | CAS_RN 75350-44-6 |
| − | FORMULA C21H22O4 | + | FORMULA C21H22O4 |
| − | EXACTMASS 338.151809192 | + | EXACTMASS 338.151809192 |
| − | AVERAGEMASS 338.39698 | + | AVERAGEMASS 338.39698 |
| − | SMILES COc(c3)c(CC=C(C)C)c(c(c(O)3)2)OC(CC(=O)2)c(c1)cccc1 | + | SMILES COc(c3)c(CC=C(C)C)c(c(c(O)3)2)OC(CC(=O)2)c(c1)cccc1 |
M END | M END | ||
| − | |||
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
-1.6796 -0.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6796 -0.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1233 -1.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5670 -0.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5670 -0.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1233 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0107 -1.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5456 -0.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5456 -0.3211 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.0107 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1017 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6687 -0.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2357 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2357 0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6687 0.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1017 0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0107 -1.8284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1233 -1.9268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1233 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6796 0.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6796 1.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2357 1.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1235 1.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0368 0.2976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5368 1.1636 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
6 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
1 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 26
M SMT 1 OCH3
M SVB 1 26 -2.0368 0.2976
S SKP 8
ID FL2FA9NI0008
KNApSAcK_ID C00008177
NAME Tephrinone
CAS_RN 75350-44-6
FORMULA C21H22O4
EXACTMASS 338.151809192
AVERAGEMASS 338.39698
SMILES COc(c3)c(CC=C(C)C)c(c(c(O)3)2)OC(CC(=O)2)c(c1)cccc1
M END
