Mol:FL1C2ANP0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 32 0 0 0 0 0 0 0 0999 V2000 | + | 30 32 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.9800 0.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9800 0.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9800 -0.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9800 -0.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5363 -0.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5363 -0.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0926 -0.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0926 -0.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0926 0.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0926 0.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5363 0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5363 0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8467 -0.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8467 -0.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4030 -0.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4030 -0.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2906 -0.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2906 -0.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7297 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7297 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2906 -1.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2906 -1.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7297 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7297 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1771 0.6468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1771 0.6468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3756 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3756 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3756 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3756 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1771 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1771 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1771 -1.2675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1771 -1.2675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9281 -0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9281 -0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1771 1.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1771 1.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4806 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4806 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9281 0.6467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9281 0.6467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4806 0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4806 0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1147 -0.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1147 -0.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7482 0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7482 0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3817 -0.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3817 -0.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0152 0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0152 0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6487 -0.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6487 -0.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0152 1.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0152 1.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8677 0.9981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8677 0.9981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6487 0.6198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6487 0.6198 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 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 18 20 2 0 0 0 0 | + | 18 20 2 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 20 1 0 0 0 0 | + | 22 20 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 5 30 1 0 0 0 0 | + | 5 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C2ANP0001 | + | ID FL1C2ANP0001 |
| − | KNApSAcK_ID C00007143 | + | KNApSAcK_ID C00007143 |
| − | NAME Flemingin D | + | NAME Flemingin D |
| − | CAS_RN 50886-60-7 | + | CAS_RN 50886-60-7 |
| − | FORMULA C25H26O5 | + | FORMULA C25H26O5 |
| − | EXACTMASS 406.178023942 | + | EXACTMASS 406.178023942 |
| − | AVERAGEMASS 406.47094 | + | AVERAGEMASS 406.47094 |
| − | SMILES O=C(C=Cc(c3)ccc(O)c3)c(c2)c(O)c(c(c2O)1)C=CC(CCC=C(C)C)(O1)C | + | SMILES O=C(C=Cc(c3)ccc(O)c3)c(c2)c(O)c(c(c2O)1)C=CC(CCC=C(C)C)(O1)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/
30 32 0 0 0 0 0 0 0 0999 V2000
2.9800 0.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9800 -0.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5363 -0.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0926 -0.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0926 0.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5363 0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8467 -0.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4030 -0.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2906 -0.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7297 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2906 -1.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7297 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1771 0.6468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3756 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3756 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1771 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1771 -1.2675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9281 -0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1771 1.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4806 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9281 0.6467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4806 0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1147 -0.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7482 0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3817 -0.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0152 0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6487 -0.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0152 1.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8677 0.9981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6487 0.6198 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
13 19 1 0 0 0 0
18 20 2 0 0 0 0
14 21 1 0 0 0 0
21 22 1 0 0 0 0
22 20 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
22 29 1 0 0 0 0
5 30 1 0 0 0 0
S SKP 8
ID FL1C2ANP0001
KNApSAcK_ID C00007143
NAME Flemingin D
CAS_RN 50886-60-7
FORMULA C25H26O5
EXACTMASS 406.178023942
AVERAGEMASS 406.47094
SMILES O=C(C=Cc(c3)ccc(O)c3)c(c2)c(O)c(c(c2O)1)C=CC(CCC=C(C)C)(O1)C
M END
