Mol:FL3FA9NCN002
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 29 0 0 0 0 0 0 0 0999 V2000 | + | 26 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.1001 -0.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1001 -0.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1001 0.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1001 0.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6550 0.6636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6550 0.6636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2098 0.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2098 0.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2098 -0.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2098 -0.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6550 -0.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6550 -0.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4548 -0.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4548 -0.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0096 -0.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0096 -0.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0096 0.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0096 0.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4548 0.6636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4548 0.6636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6382 0.5906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6382 0.5906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7083 -0.5852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7083 -0.5852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6550 -1.1239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6550 -1.1239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4548 -0.9991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4548 -0.9991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6353 0.7045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6353 0.7045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3041 0.5253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3041 0.5253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7936 1.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7936 1.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6145 1.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6145 1.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9457 1.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9457 1.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4561 1.3733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4561 1.3733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2924 -0.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2924 -0.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7936 -0.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7936 -0.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5193 -1.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5193 -1.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8485 -1.2449 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8485 -1.2449 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4918 -1.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4918 -1.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8568 -0.0309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8568 -0.0309 0.0000 H 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 |
| − | 1 7 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 10 2 1 0 0 0 0 |
| − | 4 11 1 0 0 0 0 | + | 4 11 1 0 0 0 0 |
| − | 5 12 1 0 0 0 0 | + | 5 12 1 0 0 0 0 |
| − | 6 13 1 0 0 0 0 | + | 6 13 1 0 0 0 0 |
| − | 7 14 2 0 0 0 0 | + | 7 14 2 0 0 0 0 |
| − | 9 15 1 0 0 0 0 | + | 9 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 12 21 1 0 0 0 0 | + | 12 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 12 1 0 0 0 0 | + | 24 12 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 12 26 1 4 0 0 0 | + | 12 26 1 4 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FA9NCN002 | + | ID FL3FA9NCN002 |
| − | KNApSAcK_ID C00002346 | + | KNApSAcK_ID C00002346 |
| − | NAME Isoficine | + | NAME Isoficine |
| − | CAS_RN 2255-62-1 | + | CAS_RN 2255-62-1 |
| − | FORMULA C20H19NO4 | + | FORMULA C20H19NO4 |
| − | EXACTMASS 337.131408101 | + | EXACTMASS 337.131408101 |
| − | AVERAGEMASS 337.3692 | + | AVERAGEMASS 337.3692 |
| − | SMILES c(C(=O)4)(c(OC(=C4)c(c3)cccc3)1)c(c(C(C2)(N(CC2)C)[H])c(O)c1)O | + | SMILES c(C(=O)4)(c(OC(=C4)c(c3)cccc3)1)c(c(C(C2)(N(CC2)C)[H])c(O)c1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 29 0 0 0 0 0 0 0 0999 V2000
-0.1001 -0.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1001 0.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6550 0.6636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2098 0.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2098 -0.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6550 -0.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4548 -0.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0096 -0.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0096 0.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4548 0.6636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6382 0.5906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7083 -0.5852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6550 -1.1239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4548 -0.9991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6353 0.7045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3041 0.5253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7936 1.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6145 1.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9457 1.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4561 1.3733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2924 -0.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7936 -0.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5193 -1.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8485 -1.2449 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4918 -1.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8568 -0.0309 0.0000 H 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
1 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 2 1 0 0 0 0
4 11 1 0 0 0 0
5 12 1 0 0 0 0
6 13 1 0 0 0 0
7 14 2 0 0 0 0
9 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 15 1 0 0 0 0
12 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 12 1 0 0 0 0
24 25 1 0 0 0 0
12 26 1 4 0 0 0
S SKP 8
ID FL3FA9NCN002
KNApSAcK_ID C00002346
NAME Isoficine
CAS_RN 2255-62-1
FORMULA C20H19NO4
EXACTMASS 337.131408101
AVERAGEMASS 337.3692
SMILES c(C(=O)4)(c(OC(=C4)c(c3)cccc3)1)c(c(C(C2)(N(CC2)C)[H])c(O)c1)O
M END
