Mol:FL2FACNP0002
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 39 0 0 0 0 0 0 0 0999 V2000 | + | 36 39 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7255 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7255 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7255 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7255 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1692 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1692 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6129 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6129 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6129 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6129 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1692 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1692 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0566 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0566 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4997 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4997 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4997 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4997 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0566 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0566 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0558 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0558 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6228 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6228 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1897 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1897 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1897 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1897 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6228 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6228 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0558 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0558 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0566 -1.8283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0566 -1.8283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1692 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1692 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2816 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2816 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6228 1.6366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6228 1.6366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7566 0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7566 0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2816 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2816 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8377 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8377 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3926 -1.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3926 -1.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9475 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9475 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3926 -1.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3926 -1.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1692 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1692 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7253 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7253 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7253 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7253 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2814 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2814 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1692 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1692 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7566 -0.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7566 -0.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3222 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3222 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3237 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3237 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7559 1.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7559 1.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9475 0.4877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9475 0.4877 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 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 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 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | 13 32 1 0 0 0 0 | + | 13 32 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 21 1 0 0 0 0 | + | 34 21 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 34 36 1 0 0 0 0 | + | 34 36 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FACNP0002 | + | ID FL2FACNP0002 |
| − | KNApSAcK_ID C00008325 | + | KNApSAcK_ID C00008325 |
| − | NAME Amorinin | + | NAME Amorinin |
| − | CAS_RN 83677-05-8 | + | CAS_RN 83677-05-8 |
| − | FORMULA C30H34O6 | + | FORMULA C30H34O6 |
| − | EXACTMASS 490.23553882 | + | EXACTMASS 490.23553882 |
| − | AVERAGEMASS 490.58736000000005 | + | AVERAGEMASS 490.58736000000005 |
| − | SMILES CC(C)=CCc(c1O)c(O2)c(C(=O)CC(c(c4)cc(c(c4O)3)C=CC(C)(C)O3)2)c(c(CC=C(C)C)1)O | + | SMILES CC(C)=CCc(c1O)c(O2)c(C(=O)CC(c(c4)cc(c(c4O)3)C=CC(C)(C)O3)2)c(c(CC=C(C)C)1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
36 39 0 0 0 0 0 0 0 0999 V2000
-1.7255 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7255 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1692 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6129 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6129 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1692 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0566 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4997 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4997 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0566 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0558 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6228 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1897 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1897 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6228 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0558 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0566 -1.8283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1692 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2816 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6228 1.6366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7566 0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2816 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8377 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3926 -1.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9475 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3926 -1.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1692 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7253 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7253 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2814 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1692 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7566 -0.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3222 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3237 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7559 1.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9475 0.4877 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
1 19 1 0 0 0 0
15 20 1 0 0 0 0
14 21 1 0 0 0 0
2 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
6 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
13 32 1 0 0 0 0
32 33 2 0 0 0 0
33 34 1 0 0 0 0
34 21 1 0 0 0 0
34 35 1 0 0 0 0
34 36 1 0 0 0 0
S SKP 8
ID FL2FACNP0002
KNApSAcK_ID C00008325
NAME Amorinin
CAS_RN 83677-05-8
FORMULA C30H34O6
EXACTMASS 490.23553882
AVERAGEMASS 490.58736000000005
SMILES CC(C)=CCc(c1O)c(O2)c(C(=O)CC(c(c4)cc(c(c4O)3)C=CC(C)(C)O3)2)c(c(CC=C(C)C)1)O
M END
