Mol:FL2FCDNI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 35 0 0 0 0 0 0 0 0999 V2000 | + | 33 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.1300 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1300 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1300 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1300 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5737 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5737 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0174 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0174 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0174 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0174 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5737 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5737 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5389 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5389 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0952 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0952 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0952 -0.3209 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.0952 -0.3209 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.5389 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5389 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6513 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6513 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2182 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2182 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7852 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7852 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7852 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7852 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2182 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2182 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6513 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6513 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5389 -1.8283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5389 -1.8283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5737 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5737 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7852 0.6548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7852 0.6548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6861 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6861 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2422 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2422 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7971 -1.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7971 -1.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3520 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3520 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7971 -1.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7971 -1.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5737 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5737 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1298 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1298 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1298 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1298 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6859 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6859 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5737 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5737 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5017 1.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5017 1.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9432 2.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9432 2.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4873 0.2978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4873 0.2978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9874 1.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9874 1.1638 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 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 6 25 1 0 0 0 0 | + | 6 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 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 |
| − | 15 30 1 0 0 0 0 | + | 15 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 1 32 1 0 0 0 0 | + | 1 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 32 33 | + | M SAL 2 2 32 33 |
| − | M SBL 2 1 34 | + | M SBL 2 1 34 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 34 -1.4873 0.2978 | + | M SVB 2 34 -1.4873 0.2978 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 32 | + | M SBL 1 1 32 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 32 2.5017 1.5583 | + | M SVB 1 32 2.5017 1.5583 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FCDNI0001 | + | ID FL2FCDNI0001 |
| − | KNApSAcK_ID C00008322 | + | KNApSAcK_ID C00008322 |
| − | NAME Amoradinin | + | NAME Amoradinin |
| − | CAS_RN 94927-38-5 | + | CAS_RN 94927-38-5 |
| − | FORMULA C27H32O6 | + | FORMULA C27H32O6 |
| − | EXACTMASS 452.219888756 | + | EXACTMASS 452.219888756 |
| − | AVERAGEMASS 452.53938 | + | AVERAGEMASS 452.53938 |
| − | SMILES O(c(c1O)cc(C(O3)CC(c(c32)c(c(c(OC)c2CC=C(C)C)CC=C(C)C)O)=O)cc1)C | + | SMILES O(c(c1O)cc(C(O3)CC(c(c32)c(c(c(OC)c2CC=C(C)C)CC=C(C)C)O)=O)cc1)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 35 0 0 0 0 0 0 0 0999 V2000
-1.1300 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1300 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5737 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0174 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0174 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5737 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5389 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0952 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0952 -0.3209 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.5389 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6513 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2182 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7852 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7852 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2182 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6513 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5389 -1.8283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5737 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7852 0.6548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6861 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2422 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7971 -1.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3520 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7971 -1.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5737 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1298 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1298 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6859 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5737 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5017 1.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9432 2.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4873 0.2978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9874 1.1638 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
14 19 1 0 0 0 0
2 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
6 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
15 30 1 0 0 0 0
30 31 1 0 0 0 0
1 32 1 0 0 0 0
32 33 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 32 33
M SBL 2 1 34
M SMT 2 OCH3
M SVB 2 34 -1.4873 0.2978
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 32
M SMT 1 OCH3
M SVB 1 32 2.5017 1.5583
S SKP 8
ID FL2FCDNI0001
KNApSAcK_ID C00008322
NAME Amoradinin
CAS_RN 94927-38-5
FORMULA C27H32O6
EXACTMASS 452.219888756
AVERAGEMASS 452.53938
SMILES O(c(c1O)cc(C(O3)CC(c(c32)c(c(c(OC)c2CC=C(C)C)CC=C(C)C)O)=O)cc1)C
M END
