Mol:FL1C28NP0003
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 0.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0866 0.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0866 -0.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0866 -0.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6429 -0.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6429 -0.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1992 -0.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1992 -0.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1992 0.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1992 0.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6429 0.6310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6429 0.6310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9534 -0.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9534 -0.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5097 -0.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5097 -0.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3973 -0.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3973 -0.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8364 -0.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8364 -0.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3973 -1.2737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3973 -1.2737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8364 0.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8364 0.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2837 0.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2837 0.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2689 0.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2689 0.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2689 -0.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2689 -0.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2837 -0.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2837 -0.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2837 -1.2564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2837 -1.2564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8214 -0.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8214 -0.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3740 -0.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3740 -0.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3740 0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3740 0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6429 -1.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6429 -1.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9253 0.6569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9253 0.6569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8214 0.6578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8214 0.6578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0022 -0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0022 -0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5524 0.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5524 0.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1025 -0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1025 -0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6515 0.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6515 0.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1992 -0.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1992 -0.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6515 0.9374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6515 0.9374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2837 1.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2837 1.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5305 0.6309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5305 0.6309 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 |
| − | 13 30 1 0 0 0 0 | + | 13 30 1 0 0 0 0 |
| − | 1 31 1 0 0 0 0 | + | 1 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C28NP0003 | + | ID FL1C28NP0003 |
| − | KNApSAcK_ID C00007153 | + | KNApSAcK_ID C00007153 |
| − | NAME Flemingin B | + | NAME Flemingin B |
| − | CAS_RN 18361-42-7 | + | CAS_RN 18361-42-7 |
| − | FORMULA C25H26O6 | + | FORMULA C25H26O6 |
| − | EXACTMASS 422.172938564 | + | EXACTMASS 422.172938564 |
| − | AVERAGEMASS 422.47033999999996 | + | AVERAGEMASS 422.47033999999996 |
| − | SMILES C(CC(C=3)(Oc(c1C3)c(cc(C(=O)C=Cc(c2O)c(ccc2)O)c(O)1)O)C)C=C(C)C | + | SMILES C(CC(C=3)(Oc(c1C3)c(cc(C(=O)C=Cc(c2O)c(ccc2)O)c(O)1)O)C)C=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/
31 33 0 0 0 0 0 0 0 0999 V2000
3.0866 0.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0866 -0.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6429 -0.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1992 -0.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1992 0.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6429 0.6310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9534 -0.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5097 -0.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3973 -0.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8364 -0.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3973 -1.2737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8364 0.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2837 0.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2689 0.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2689 -0.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2837 -0.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2837 -1.2564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8214 -0.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3740 -0.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3740 0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6429 -1.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9253 0.6569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8214 0.6578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0022 -0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5524 0.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1025 -0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6515 0.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1992 -0.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6515 0.9374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2837 1.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5305 0.6309 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
13 30 1 0 0 0 0
1 31 1 0 0 0 0
S SKP 8
ID FL1C28NP0003
KNApSAcK_ID C00007153
NAME Flemingin B
CAS_RN 18361-42-7
FORMULA C25H26O6
EXACTMASS 422.172938564
AVERAGEMASS 422.47033999999996
SMILES C(CC(C=3)(Oc(c1C3)c(cc(C(=O)C=Cc(c2O)c(ccc2)O)c(O)1)O)C)C=C(C)C
M END
