Mol:FL1CA8NP0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 33 0 0 0 0 0 0 0 0999 V2000 | + | 31 33 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.0866 0.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0866 0.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0866 -0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0866 -0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6429 -0.4745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6429 -0.4745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1992 -0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1992 -0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1992 0.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1992 0.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6429 0.8102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6429 0.8102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9534 -0.1327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9534 -0.1327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5097 -0.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5097 -0.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3973 -0.4538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3973 -0.4538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8364 -0.1202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8364 -0.1202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3973 -1.0945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3973 -1.0945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8364 0.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8364 0.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2837 0.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2837 0.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2689 0.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2689 0.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2689 -0.1202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2689 -0.1202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2837 -0.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2837 -0.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2837 -1.0772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2837 -1.0772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8214 -0.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8214 -0.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3740 -0.1202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3740 -0.1202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3740 0.5178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3740 0.5178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6429 -1.1166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6429 -1.1166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9253 0.8361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9253 0.8361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8214 0.8370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8214 0.8370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0022 0.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0022 0.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5524 0.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5524 0.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1025 0.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1025 0.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6515 0.4841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6515 0.4841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1992 0.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1992 0.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6515 1.1166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6515 1.1166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5305 0.8101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5305 0.8101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3889 0.8370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3889 0.8370 0.0000 O 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 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 9 11 2 0 0 0 0 | + | 9 11 2 0 0 0 0 |
| − | 2 8 1 0 0 0 0 | + | 2 8 1 0 0 0 0 |
| − | 10 12 2 0 0 0 0 | + | 10 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 20 19 1 0 0 0 0 | + | 20 19 1 0 0 0 0 |
| − | 3 21 1 0 0 0 0 | + | 3 21 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 14 23 1 0 0 0 0 | + | 14 23 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 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 |
| − | 20 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
| − | 1 30 1 0 0 0 0 | + | 1 30 1 0 0 0 0 |
| − | 12 31 1 0 0 0 0 | + | 12 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CA8NP0003 | + | ID FL1CA8NP0003 |
| − | KNApSAcK_ID C00007154 | + | KNApSAcK_ID C00007154 |
| − | NAME Flemiwallichin A | + | NAME Flemiwallichin A |
| − | CAS_RN 58264-33-8 | + | CAS_RN 58264-33-8 |
| − | FORMULA C25H26O6 | + | FORMULA C25H26O6 |
| − | EXACTMASS 422.172938564 | + | EXACTMASS 422.172938564 |
| − | AVERAGEMASS 422.47033999999996 | + | AVERAGEMASS 422.47033999999996 |
| − | SMILES c(c1O)(C=3)c(OC(C)(C3)CCC=C(C)C)cc(c1C(=O)C=Cc(c2O)c(ccc2)O)O | + | SMILES c(c1O)(C=3)c(OC(C)(C3)CCC=C(C)C)cc(c1C(=O)C=Cc(c2O)c(ccc2)O)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 33 0 0 0 0 0 0 0 0999 V2000
3.0866 0.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0866 -0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6429 -0.4745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1992 -0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1992 0.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6429 0.8102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9534 -0.1327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5097 -0.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3973 -0.4538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8364 -0.1202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3973 -1.0945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8364 0.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2837 0.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2689 0.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2689 -0.1202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2837 -0.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2837 -1.0772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8214 -0.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3740 -0.1202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3740 0.5178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6429 -1.1166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9253 0.8361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8214 0.8370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0022 0.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5524 0.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1025 0.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6515 0.4841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1992 0.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6515 1.1166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5305 0.8101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3889 0.8370 0.0000 O 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
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 8 1 0 0 0 0
10 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 10 1 0 0 0 0
16 17 1 0 0 0 0
15 18 1 0 0 0 0
18 19 2 0 0 0 0
20 19 1 0 0 0 0
3 21 1 0 0 0 0
20 22 1 0 0 0 0
14 23 1 0 0 0 0
20 23 1 0 0 0 0
24 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
20 24 1 0 0 0 0
1 30 1 0 0 0 0
12 31 1 0 0 0 0
S SKP 8
ID FL1CA8NP0003
KNApSAcK_ID C00007154
NAME Flemiwallichin A
CAS_RN 58264-33-8
FORMULA C25H26O6
EXACTMASS 422.172938564
AVERAGEMASS 422.47033999999996
SMILES c(c1O)(C=3)c(OC(C)(C3)CCC=C(C)C)cc(c1C(=O)C=Cc(c2O)c(ccc2)O)O
M END
