Mol:FL5FAANCN001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.2119 -0.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2119 -0.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2119 -0.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2119 -0.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7996 -1.1598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7996 -1.1598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3872 -0.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3872 -0.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3872 -0.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3872 -0.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7996 -0.2075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7996 -0.2075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0252 -1.1598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0252 -1.1598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4375 -0.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4375 -0.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4375 -0.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4375 -0.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0252 -0.2075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0252 -0.2075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8496 -0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8496 -0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7996 0.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7996 0.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6195 0.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6195 0.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2030 1.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2030 1.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7438 0.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7438 0.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4944 0.2399 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4944 0.2399 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2645 0.8895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2645 0.8895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7447 1.8690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7447 1.8690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7191 1.8113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7191 1.8113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0729 0.2763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0729 0.2763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6240 -0.2077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6240 -0.2077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3212 -0.4800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3212 -0.4800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7929 -0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7929 -0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7929 0.3369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7929 0.3369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3212 0.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3212 0.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8496 0.3369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8496 0.3369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2645 0.6092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2645 0.6092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7996 -1.8690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7996 -1.8690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0252 -1.6217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0252 -1.6217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9770 -1.2332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9770 -1.2332 0.0000 O 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 |
| − | 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 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 6 12 1 0 0 0 0 | + | 6 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 |
| − | 15 17 2 0 0 0 0 | + | 15 17 2 0 0 0 0 |
| − | 14 18 1 4 0 0 0 | + | 14 18 1 4 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 12 20 1 4 0 0 0 | + | 12 20 1 4 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 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 |
| − | 24 27 1 0 0 0 0 | + | 24 27 1 0 0 0 0 |
| − | 3 28 1 0 0 0 0 | + | 3 28 1 0 0 0 0 |
| − | 7 29 2 0 0 0 0 | + | 7 29 2 0 0 0 0 |
| − | 8 30 1 0 0 0 0 | + | 8 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FAANCN001 | + | ID FL5FAANCN001 |
| − | KNApSAcK_ID C00002347 | + | KNApSAcK_ID C00002347 |
| − | NAME Lilaline | + | NAME Lilaline |
| − | CAS_RN 110011-49-9 | + | CAS_RN 110011-49-9 |
| − | FORMULA C20H17NO7 | + | FORMULA C20H17NO7 |
| − | EXACTMASS 383.100501903 | + | EXACTMASS 383.100501903 |
| − | AVERAGEMASS 383.35151999999994 | + | AVERAGEMASS 383.35151999999994 |
| − | SMILES N(C([H])1c(c(O)4)c(c(c(O)c4)2)OC(c(c3)ccc(O)c3)=C(C2=O)O)C(C(C1)([H])C)=O | + | SMILES N(C([H])1c(c(O)4)c(c(c(O)c4)2)OC(c(c3)ccc(O)c3)=C(C2=O)O)C(C(C1)([H])C)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-1.2119 -0.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2119 -0.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7996 -1.1598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3872 -0.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3872 -0.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7996 -0.2075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0252 -1.1598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4375 -0.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4375 -0.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0252 -0.2075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8496 -0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7996 0.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6195 0.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2030 1.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7438 0.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4944 0.2399 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.2645 0.8895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7447 1.8690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7191 1.8113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0729 0.2763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6240 -0.2077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3212 -0.4800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7929 -0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7929 0.3369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3212 0.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8496 0.3369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2645 0.6092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7996 -1.8690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0252 -1.6217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9770 -1.2332 0.0000 O 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
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
9 11 1 0 0 0 0
6 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
15 17 2 0 0 0 0
14 18 1 4 0 0 0
14 19 1 0 0 0 0
12 20 1 4 0 0 0
1 21 1 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
24 27 1 0 0 0 0
3 28 1 0 0 0 0
7 29 2 0 0 0 0
8 30 1 0 0 0 0
S SKP 8
ID FL5FAANCN001
KNApSAcK_ID C00002347
NAME Lilaline
CAS_RN 110011-49-9
FORMULA C20H17NO7
EXACTMASS 383.100501903
AVERAGEMASS 383.35151999999994
SMILES N(C([H])1c(c(O)4)c(c(c(O)c4)2)OC(c(c3)ccc(O)c3)=C(C2=O)O)C(C(C1)([H])C)=O
M END
