Mol:FL2FALNI0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 36 38 0 0 0 0 0 0 0 0999 V2000 | + | 36 38 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0992 -0.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0992 -0.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0992 -1.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0992 -1.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5429 -1.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5429 -1.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0134 -1.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0134 -1.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0134 -0.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0134 -0.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5429 -0.6474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5429 -0.6474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5697 -1.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5697 -1.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1260 -1.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1260 -1.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1260 -0.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1260 -0.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5697 -0.6474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5697 -0.6474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6821 -0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6821 -0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2491 -0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2491 -0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8161 -0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8161 -0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8161 0.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8161 0.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2491 0.3345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2491 0.3345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6821 0.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6821 0.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5697 -2.4760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5697 -2.4760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5429 -2.5743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5429 -2.5743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3831 0.3345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3831 0.3345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1153 0.3344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1153 0.3344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7171 -1.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7171 -1.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2732 -1.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2732 -1.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8281 -1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8281 -1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6555 -0.6474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6555 -0.6474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3831 -1.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3831 -1.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8281 -2.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8281 -2.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5429 0.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5429 0.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0990 0.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0990 0.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0990 1.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0990 1.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6551 1.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6551 1.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6551 2.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6551 2.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0990 2.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0990 2.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2112 2.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2112 2.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6551 0.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6551 0.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6551 -0.2968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6551 -0.2968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2112 0.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2112 0.6664 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 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 19 14 1 0 0 0 0 | + | 19 14 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 24 1 1 0 0 0 0 | + | 24 1 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
| − | 6 27 1 0 0 0 0 | + | 6 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 31 2 0 0 0 0 | + | 30 31 2 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 31 33 1 0 0 0 0 | + | 31 33 1 0 0 0 0 |
| − | 28 34 1 0 0 0 0 | + | 28 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 34 36 2 0 0 0 0 | + | 34 36 2 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FALNI0004 | + | ID FL2FALNI0004 |
| − | KNApSAcK_ID C00008336 | + | KNApSAcK_ID C00008336 |
| − | NAME Kushenol B | + | NAME Kushenol B |
| − | CAS_RN 99217-64-8 | + | CAS_RN 99217-64-8 |
| − | FORMULA C30H36O6 | + | FORMULA C30H36O6 |
| − | EXACTMASS 492.251188884 | + | EXACTMASS 492.251188884 |
| − | AVERAGEMASS 492.60324 | + | AVERAGEMASS 492.60324 |
| − | SMILES c(c13)(C(=O)CC(O3)c(c(O)2)ccc(O)c2)c(c(c(c1CC(CC=C(C)C)C(C)=C)O)CC=C(C)C)O | + | SMILES c(c13)(C(=O)CC(O3)c(c(O)2)ccc(O)c2)c(c(c(c1CC(CC=C(C)C)C(C)=C)O)CC=C(C)C)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
36 38 0 0 0 0 0 0 0 0999 V2000
-1.0992 -0.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0992 -1.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5429 -1.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0134 -1.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0134 -0.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5429 -0.6474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5697 -1.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1260 -1.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1260 -0.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5697 -0.6474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6821 -0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2491 -0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8161 -0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8161 0.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2491 0.3345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6821 0.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5697 -2.4760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5429 -2.5743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3831 0.3345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1153 0.3344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7171 -1.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2732 -1.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8281 -1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6555 -0.6474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3831 -1.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8281 -2.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5429 0.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0990 0.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0990 1.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6551 1.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6551 2.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0990 2.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2112 2.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6551 0.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6551 -0.2968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2112 0.6664 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 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
3 18 1 0 0 0 0
19 14 1 0 0 0 0
16 20 1 0 0 0 0
2 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
24 1 1 0 0 0 0
23 25 1 0 0 0 0
23 26 1 0 0 0 0
6 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 2 0 0 0 0
31 32 1 0 0 0 0
31 33 1 0 0 0 0
28 34 1 0 0 0 0
34 35 1 0 0 0 0
34 36 2 0 0 0 0
S SKP 8
ID FL2FALNI0004
KNApSAcK_ID C00008336
NAME Kushenol B
CAS_RN 99217-64-8
FORMULA C30H36O6
EXACTMASS 492.251188884
AVERAGEMASS 492.60324
SMILES c(c13)(C(=O)CC(O3)c(c(O)2)ccc(O)c2)c(c(c(c1CC(CC=C(C)C)C(C)=C)O)CC=C(C)C)O
M END
