Mol:FL1C1ANP0012
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 31 0 0 0 0 0 0 0 0999 V2000 | + | 29 31 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.5127 -0.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5127 -0.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8466 -0.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8466 -0.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8466 0.7110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8466 0.7110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5127 1.0956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5127 1.0956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1788 0.7110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1788 0.7110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1788 -0.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1788 -0.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8986 0.7214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8986 0.7214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8986 -0.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8986 -0.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5352 -0.3814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5352 -0.3814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1719 -0.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1719 -0.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1719 0.7214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1719 0.7214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5352 1.0889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5352 1.0889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1232 -0.4758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1232 -0.4758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5680 -0.0767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5680 -0.0767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2063 -0.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2063 -0.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1232 -1.1525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1232 -1.1525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8086 -0.3814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8086 -0.3814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4453 -0.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4453 -0.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4453 0.7214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4453 0.7214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8086 1.0889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8086 1.0889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7593 1.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7593 1.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9716 0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9716 0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7581 1.0455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7581 1.0455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5127 -1.1365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5127 -1.1365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9114 -0.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9114 -0.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5710 -0.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5710 -0.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3029 -0.5228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3029 -0.5228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9716 -0.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9716 -0.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5018 -1.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5018 -1.2654 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 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 7 1 0 0 0 0 | + | 12 7 1 0 0 0 0 |
| − | 2 13 1 0 0 0 0 | + | 2 13 1 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 |
| − | 13 16 2 0 0 0 0 | + | 13 16 2 0 0 0 0 |
| − | 15 8 1 0 0 0 0 | + | 15 8 1 0 0 0 0 |
| − | 10 17 1 0 0 0 0 | + | 10 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 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 11 1 0 0 0 0 | + | 20 11 1 0 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 5 23 1 0 0 0 0 | + | 5 23 1 0 0 0 0 |
| − | 1 24 1 0 0 0 0 | + | 1 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 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C1ANP0012 | + | ID FL1C1ANP0012 |
| − | KNApSAcK_ID C00011144 | + | KNApSAcK_ID C00011144 |
| − | NAME Paratocarpin C | + | NAME Paratocarpin C |
| − | CAS_RN 161099-58-7 | + | CAS_RN 161099-58-7 |
| − | FORMULA C25H26O4 | + | FORMULA C25H26O4 |
| − | EXACTMASS 390.18310931999997 | + | EXACTMASS 390.18310931999997 |
| − | AVERAGEMASS 390.47153999999995 | + | AVERAGEMASS 390.47153999999995 |
| − | SMILES CC(C)=CCc(c1O)c(O)ccc(C(=O)C=Cc(c2)ccc(O3)c2C=CC3(C)C)1 | + | SMILES CC(C)=CCc(c1O)c(O)ccc(C(=O)C=Cc(c2)ccc(O3)c2C=CC3(C)C)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 31 0 0 0 0 0 0 0 0999 V2000
-1.5127 -0.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8466 -0.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8466 0.7110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5127 1.0956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1788 0.7110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1788 -0.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8986 0.7214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8986 -0.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5352 -0.3814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1719 -0.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1719 0.7214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5352 1.0889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1232 -0.4758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5680 -0.0767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2063 -0.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1232 -1.1525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8086 -0.3814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4453 -0.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4453 0.7214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8086 1.0889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7593 1.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9716 0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7581 1.0455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5127 -1.1365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9114 -0.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5710 -0.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3029 -0.5228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9716 -0.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5018 -1.2654 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
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
12 7 1 0 0 0 0
2 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
13 16 2 0 0 0 0
15 8 1 0 0 0 0
10 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 11 1 0 0 0 0
19 21 1 0 0 0 0
19 22 1 0 0 0 0
5 23 1 0 0 0 0
1 24 1 0 0 0 0
6 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
S SKP 8
ID FL1C1ANP0012
KNApSAcK_ID C00011144
NAME Paratocarpin C
CAS_RN 161099-58-7
FORMULA C25H26O4
EXACTMASS 390.18310931999997
AVERAGEMASS 390.47153999999995
SMILES CC(C)=CCc(c1O)c(O)ccc(C(=O)C=Cc(c2)ccc(O3)c2C=CC3(C)C)1
M END
