Mol:FL2FACNI0005
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 |
| − | -1.9779 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9779 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9779 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9779 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4216 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4216 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8653 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8653 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8653 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8653 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4216 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4216 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3090 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3090 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2473 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2473 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2473 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2473 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3090 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3090 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8034 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8034 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3704 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3704 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9374 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9374 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9374 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9374 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3704 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3704 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8034 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8034 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3090 -1.8283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3090 -1.8283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4216 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4216 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5340 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5340 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3704 1.6366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3704 1.6366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5042 0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5042 0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5340 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5340 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0901 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0901 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6450 -1.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6450 -1.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1999 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1999 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6450 -1.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6450 -1.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4216 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4216 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9777 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9777 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9777 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9777 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5338 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5338 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4216 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4216 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5042 -0.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5042 -0.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0698 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0698 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6354 -0.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6354 -0.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1999 -0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1999 -0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6354 -0.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6354 -0.9789 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 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 2 0 0 0 0 | + | 33 34 2 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 FL2FACNI0005 | + | ID FL2FACNI0005 |
| − | KNApSAcK_ID C00008323 | + | KNApSAcK_ID C00008323 |
| − | NAME Amorisin | + | NAME Amorisin |
| − | CAS_RN 83474-70-8 | + | CAS_RN 83474-70-8 |
| − | FORMULA C30H36O6 | + | FORMULA C30H36O6 |
| − | EXACTMASS 492.251188884 | + | EXACTMASS 492.251188884 |
| − | AVERAGEMASS 492.60324 | + | AVERAGEMASS 492.60324 |
| − | SMILES CC(C)=CCc(c31)c(O)c(c(O)c1C(CC(O3)c(c2)cc(CC=C(C)C)c(O)c(O)2)=O)CC=C(C)C | + | SMILES CC(C)=CCc(c31)c(O)c(c(O)c1C(CC(O3)c(c2)cc(CC=C(C)C)c(O)c(O)2)=O)CC=C(C)C |
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
-1.9779 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9779 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4216 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8653 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8653 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4216 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3090 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2473 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2473 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3090 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8034 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3704 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9374 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9374 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3704 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8034 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3090 -1.8283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4216 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5340 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3704 1.6366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5042 0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5340 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0901 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6450 -1.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1999 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6450 -1.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4216 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9777 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9777 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5338 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4216 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5042 -0.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0698 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6354 -0.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1999 -0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6354 -0.9789 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 1 0 0 0 0
33 34 2 0 0 0 0
34 35 1 0 0 0 0
34 36 1 0 0 0 0
S SKP 8
ID FL2FACNI0005
KNApSAcK_ID C00008323
NAME Amorisin
CAS_RN 83474-70-8
FORMULA C30H36O6
EXACTMASS 492.251188884
AVERAGEMASS 492.60324
SMILES CC(C)=CCc(c31)c(O)c(c(O)c1C(CC(O3)c(c2)cc(CC=C(C)C)c(O)c(O)2)=O)CC=C(C)C
M END
