Mol:FL2F1ANI0008
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 |
| − | -1.8431 -1.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8431 -1.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3222 -1.7266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3222 -1.7266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8013 -1.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8013 -1.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8013 -0.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8013 -0.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3222 -0.5236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3222 -0.5236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8431 -0.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8431 -0.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2804 -1.7266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2804 -1.7266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2405 -1.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2405 -1.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2405 -0.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2405 -0.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2804 -0.5236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2804 -0.5236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7609 -0.5239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7609 -0.5239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2804 -2.2505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2804 -2.2505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2952 -0.8324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2952 -0.8324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8296 -0.5239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8296 -0.5239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8296 0.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8296 0.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2952 0.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2952 0.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7609 0.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7609 0.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3639 -0.5236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3639 -0.5236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3222 0.0772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3222 0.0772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8425 0.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8425 0.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8425 0.9786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8425 0.9786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3629 1.2790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3629 1.2790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3222 1.2790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3222 1.2790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3639 0.4016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3639 0.4016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8296 1.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8296 1.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2952 1.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2952 1.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8296 1.9432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8296 1.9432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3619 2.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3619 2.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2973 2.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2973 2.2505 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 |
| − | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 13 2 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 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 5 19 1 0 0 0 0 | + | 5 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 15 24 1 0 0 0 0 | + | 15 24 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 16 1 0 0 0 0 | + | 26 16 1 0 0 0 0 |
| − | 25 27 2 0 0 0 0 | + | 25 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 FL2F1ANI0008 | + | ID FL2F1ANI0008 |
| − | KNApSAcK_ID C00008459 | + | KNApSAcK_ID C00008459 |
| − | NAME Glabrol | + | NAME Glabrol |
| − | CAS_RN 59870-65-4 | + | CAS_RN 59870-65-4 |
| − | FORMULA C25H28O4 | + | FORMULA C25H28O4 |
| − | EXACTMASS 392.19875938399997 | + | EXACTMASS 392.19875938399997 |
| − | AVERAGEMASS 392.48742 | + | AVERAGEMASS 392.48742 |
| − | SMILES c(c1)(C(O2)CC(c(c3)c(c(CC=C(C)C)c(c3)O)2)=O)cc(c(c1)O)CC=C(C)C | + | SMILES c(c1)(C(O2)CC(c(c3)c(c(CC=C(C)C)c(c3)O)2)=O)cc(c(c1)O)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/
29 31 0 0 0 0 0 0 0 0999 V2000
-1.8431 -1.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3222 -1.7266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8013 -1.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8013 -0.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3222 -0.5236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8431 -0.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2804 -1.7266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2405 -1.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2405 -0.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2804 -0.5236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7609 -0.5239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2804 -2.2505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2952 -0.8324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8296 -0.5239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8296 0.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2952 0.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7609 0.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3639 -0.5236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3222 0.0772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8425 0.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8425 0.9786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3629 1.2790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3222 1.2790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3639 0.4016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8296 1.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2952 1.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8296 1.9432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3619 2.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2973 2.2505 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
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 11 1 0 0 0 0
6 18 1 0 0 0 0
5 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
15 24 1 0 0 0 0
25 26 1 0 0 0 0
26 16 1 0 0 0 0
25 27 2 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
S SKP 8
ID FL2F1ANI0008
KNApSAcK_ID C00008459
NAME Glabrol
CAS_RN 59870-65-4
FORMULA C25H28O4
EXACTMASS 392.19875938399997
AVERAGEMASS 392.48742
SMILES c(c1)(C(O2)CC(c(c3)c(c(CC=C(C)C)c(c3)O)2)=O)cc(c(c1)O)CC=C(C)C
M END
