Mol:FL2FACNP0005
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 40 0 0 0 0 0 0 0 0999 V2000 | + | 36 40 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9031 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9031 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3822 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3822 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8613 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8613 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8613 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8613 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3822 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3822 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9031 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9031 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3404 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3404 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1805 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1805 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1805 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1805 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3404 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3404 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7008 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7008 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3404 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3404 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2352 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2352 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7696 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7696 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7696 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7696 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2352 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2352 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7008 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7008 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4240 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4240 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3822 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3822 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3039 0.9258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3039 0.9258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3822 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3822 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9026 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9026 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4234 -1.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4234 -1.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9438 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9438 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3039 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3039 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8383 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8383 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8383 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8383 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1964 1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1964 1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4517 0.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4517 0.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9438 -0.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9438 -0.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3535 0.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3535 0.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4517 -0.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4517 -0.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9026 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9026 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4229 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4229 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3822 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3822 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2352 1.5418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2352 1.5418 0.0000 O 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 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 1 23 1 0 0 0 0 | + | 1 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 14 25 1 0 0 0 0 | + | 14 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 |
| − | 27 20 1 0 0 0 0 | + | 27 20 1 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 |
| − | 18 30 1 0 0 0 0 | + | 18 30 1 0 0 0 0 |
| − | 30 24 1 0 0 0 0 | + | 30 24 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
| − | 22 33 2 0 0 0 0 | + | 22 33 2 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | 16 36 1 0 0 0 0 | + | 16 36 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FACNP0005 | + | ID FL2FACNP0005 |
| − | KNApSAcK_ID C00008473 | + | KNApSAcK_ID C00008473 |
| − | NAME Amorin | + | NAME Amorin |
| − | CAS_RN 119347-09-0 | + | CAS_RN 119347-09-0 |
| − | FORMULA C30H32O6 | + | FORMULA C30H32O6 |
| − | EXACTMASS 488.219888756 | + | EXACTMASS 488.219888756 |
| − | AVERAGEMASS 488.57148 | + | AVERAGEMASS 488.57148 |
| − | SMILES c(C=1)(c2)c(c(O)cc2C(O3)CC(=O)c(c4O)c(c(CC=C(C)C)c(O5)c(C=CC5(C)C)4)3)OC(C)(C)C1 | + | SMILES c(C=1)(c2)c(c(O)cc2C(O3)CC(=O)c(c4O)c(c(CC=C(C)C)c(O5)c(C=CC5(C)C)4)3)OC(C)(C)C1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
36 40 0 0 0 0 0 0 0 0999 V2000
-1.9031 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3822 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8613 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8613 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3822 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9031 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3404 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1805 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1805 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3404 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7008 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3404 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2352 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7696 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7696 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2352 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7008 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4240 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3822 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3039 0.9258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3822 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9026 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4234 -1.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9438 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3039 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8383 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8383 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1964 1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4517 0.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9438 -0.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3535 0.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4517 -0.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9026 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4229 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3822 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2352 1.5418 0.0000 O 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
2 19 1 0 0 0 0
20 15 1 0 0 0 0
5 21 1 0 0 0 0
21 22 1 0 0 0 0
1 23 1 0 0 0 0
23 24 2 0 0 0 0
14 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 20 1 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
18 30 1 0 0 0 0
30 24 1 0 0 0 0
30 31 1 0 0 0 0
30 32 1 0 0 0 0
22 33 2 0 0 0 0
33 34 1 0 0 0 0
33 35 1 0 0 0 0
16 36 1 0 0 0 0
S SKP 8
ID FL2FACNP0005
KNApSAcK_ID C00008473
NAME Amorin
CAS_RN 119347-09-0
FORMULA C30H32O6
EXACTMASS 488.219888756
AVERAGEMASS 488.57148
SMILES c(C=1)(c2)c(c(O)cc2C(O3)CC(=O)c(c4O)c(c(CC=C(C)C)c(O5)c(C=CC5(C)C)4)3)OC(C)(C)C1
M END
