Mol:FLIG1LNP0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 37 41 0 0 0 0 0 0 0 0999 V2000 | + | 37 41 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0473 0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0473 0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0473 -0.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0473 -0.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4910 -0.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4910 -0.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9347 -0.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9347 -0.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9347 0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9347 0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4910 0.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4910 0.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3784 -0.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3784 -0.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1779 -0.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1779 -0.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1779 0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1779 0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3784 0.4765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3784 0.4765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7340 -0.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7340 -0.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7340 -1.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7340 -1.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3288 -1.8383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3288 -1.8383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9236 -1.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9236 -1.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9236 -0.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9236 -0.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3288 -0.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3288 -0.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3767 -1.4946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3767 -1.4946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5521 -1.8453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5521 -1.8453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3352 0.1554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3352 0.1554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4910 -1.4503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4910 -1.4503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6034 0.4764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6034 0.4764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4910 1.1187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4910 1.1187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1003 1.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1003 1.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1003 2.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1003 2.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4918 2.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4918 2.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7088 2.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7088 2.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3288 -2.5244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3288 -2.5244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6034 -0.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6034 -0.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6034 -1.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6034 -1.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1583 -1.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1583 -1.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1583 -2.4099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1583 -2.4099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7132 -1.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7132 -1.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1131 -1.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1131 -1.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1131 -0.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1131 -0.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5184 -0.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5184 -0.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7132 -1.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7132 -1.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7032 -1.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7032 -1.1474 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 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 |
| − | 8 11 1 0 0 0 0 | + | 8 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 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 9 19 1 0 0 0 0 | + | 9 19 1 0 0 0 0 |
| − | 19 16 1 0 0 0 0 | + | 19 16 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 6 22 1 0 0 0 0 | + | 6 22 1 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 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 13 27 1 0 0 0 0 | + | 13 27 1 0 0 0 0 |
| − | 2 28 1 0 0 0 0 | + | 2 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 2 0 0 0 0 | + | 29 30 2 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
| − | 18 33 1 0 0 0 0 | + | 18 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 2 0 0 0 0 | + | 34 35 2 0 0 0 0 |
| − | 35 15 1 0 0 0 0 | + | 35 15 1 0 0 0 0 |
| − | 33 36 1 0 0 0 0 | + | 33 36 1 0 0 0 0 |
| − | 33 37 1 0 0 0 0 | + | 33 37 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIG1LNP0002 | + | ID FLIG1LNP0002 |
| − | KNApSAcK_ID C00010072 | + | KNApSAcK_ID C00010072 |
| − | NAME Euchretin A | + | NAME Euchretin A |
| − | CAS_RN 119459-83-5 | + | CAS_RN 119459-83-5 |
| − | FORMULA C30H30O7 | + | FORMULA C30H30O7 |
| − | EXACTMASS 502.199153314 | + | EXACTMASS 502.199153314 |
| − | AVERAGEMASS 502.55500000000006 | + | AVERAGEMASS 502.55500000000006 |
| − | SMILES c(O)(c(CC=C(C)C)5)c(c(c(c5O)4)Oc(o3)c(C4=O)c(c31)cc(O)c(O2)c(C=CC(C)(C)2)1)CC=C(C)C | + | SMILES c(O)(c(CC=C(C)C)5)c(c(c(c5O)4)Oc(o3)c(C4=O)c(c31)cc(O)c(O2)c(C=CC(C)(C)2)1)CC=C(C)C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
37 41 0 0 0 0 0 0 0 0999 V2000
-2.0473 0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0473 -0.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4910 -0.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9347 -0.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9347 0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4910 0.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3784 -0.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1779 -0.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1779 0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3784 0.4765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7340 -0.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7340 -1.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3288 -1.8383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9236 -1.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9236 -0.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3288 -0.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3767 -1.4946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5521 -1.8453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3352 0.1554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4910 -1.4503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6034 0.4764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4910 1.1187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1003 1.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1003 2.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4918 2.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7088 2.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3288 -2.5244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6034 -0.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6034 -1.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1583 -1.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1583 -2.4099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7132 -1.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1131 -1.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1131 -0.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5184 -0.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7132 -1.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7032 -1.1474 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 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
8 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
14 18 1 0 0 0 0
9 19 1 0 0 0 0
19 16 1 0 0 0 0
3 20 1 0 0 0 0
1 21 1 0 0 0 0
6 22 1 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
24 26 1 0 0 0 0
13 27 1 0 0 0 0
2 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 2 0 0 0 0
30 31 1 0 0 0 0
30 32 1 0 0 0 0
18 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 2 0 0 0 0
35 15 1 0 0 0 0
33 36 1 0 0 0 0
33 37 1 0 0 0 0
S SKP 8
ID FLIG1LNP0002
KNApSAcK_ID C00010072
NAME Euchretin A
CAS_RN 119459-83-5
FORMULA C30H30O7
EXACTMASS 502.199153314
AVERAGEMASS 502.55500000000006
SMILES c(O)(c(CC=C(C)C)5)c(c(c(c5O)4)Oc(o3)c(C4=O)c(c31)cc(O)c(O2)c(C=CC(C)(C)2)1)CC=C(C)C
M END
