Mol:FL3FA9NCN001
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 |
| − | -0.3360 -0.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3360 -0.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3360 -0.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3360 -0.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7840 0.0293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7840 0.0293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2320 -0.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2320 -0.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2320 -0.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2320 -0.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7840 -1.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7840 -1.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1119 -1.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1119 -1.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5599 -0.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5599 -0.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5599 -0.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5599 -0.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1119 0.0293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1119 0.0293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0077 0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0077 0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7840 0.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7840 0.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6118 1.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6118 1.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1697 1.5511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1697 1.5511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6866 1.1325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6866 1.1325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4483 0.5115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4483 0.5115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7520 0.0709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7520 0.0709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9876 0.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9876 0.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1480 0.5463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1480 0.5463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7840 -1.5511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7840 -1.5511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1119 -1.4272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1119 -1.4272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4976 -0.2537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4976 -0.2537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9876 0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9876 0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9876 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9876 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4976 0.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4976 0.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0077 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0077 0.5950 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 |
| − | 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 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 3 12 1 0 0 0 0 | + | 3 12 1 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 12 1 0 0 0 0 | + | 16 12 1 0 0 0 0 |
| − | 4 17 1 0 0 0 0 | + | 4 17 1 0 0 0 0 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 12 19 1 4 0 0 0 | + | 12 19 1 4 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 7 21 2 0 0 0 0 | + | 7 21 2 0 0 0 0 |
| − | 11 22 2 0 0 0 0 | + | 11 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 11 1 0 0 0 0 | + | 26 11 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FA9NCN001 | + | ID FL3FA9NCN001 |
| − | KNApSAcK_ID C00002339 | + | KNApSAcK_ID C00002339 |
| − | NAME Ficine | + | NAME Ficine |
| − | CAS_RN 2520-36-7 | + | CAS_RN 2520-36-7 |
| − | FORMULA C20H19NO4 | + | FORMULA C20H19NO4 |
| − | EXACTMASS 337.131408101 | + | EXACTMASS 337.131408101 |
| − | AVERAGEMASS 337.3692 | + | AVERAGEMASS 337.3692 |
| − | SMILES c(c(O)2)(C(=O)4)c(OC(=C4)c(c3)cccc3)c(c(O)c2)C(C1)(N(CC1)C)[H] | + | SMILES c(c(O)2)(C(=O)4)c(OC(=C4)c(c3)cccc3)c(c(O)c2)C(C1)(N(CC1)C)[H] |
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
-0.3360 -0.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3360 -0.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7840 0.0293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2320 -0.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2320 -0.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7840 -1.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1119 -1.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5599 -0.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5599 -0.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1119 0.0293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0077 0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7840 0.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6118 1.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1697 1.5511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6866 1.1325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4483 0.5115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7520 0.0709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9876 0.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1480 0.5463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7840 -1.5511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1119 -1.4272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4976 -0.2537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9876 0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9876 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4976 0.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0077 0.5950 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
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
9 11 1 0 0 0 0
3 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 12 1 0 0 0 0
4 17 1 0 0 0 0
16 18 1 0 0 0 0
12 19 1 4 0 0 0
6 20 1 0 0 0 0
7 21 2 0 0 0 0
11 22 2 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 11 1 0 0 0 0
S SKP 8
ID FL3FA9NCN001
KNApSAcK_ID C00002339
NAME Ficine
CAS_RN 2520-36-7
FORMULA C20H19NO4
EXACTMASS 337.131408101
AVERAGEMASS 337.3692
SMILES c(c(O)2)(C(=O)4)c(OC(=C4)c(c3)cccc3)c(c(O)c2)C(C1)(N(CC1)C)[H]
M END
