Mol:FL2FCCNI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 34 0 0 0 0 0 0 0 0999 V2000 | + | 32 34 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 |
| − | 2.2182 1.6366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2182 1.6366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3520 0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3520 0.9821 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 |
| − | -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 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 6 26 1 0 0 0 0 | + | 6 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 1 31 1 0 0 0 0 | + | 1 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 33 | + | M SBL 1 1 33 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 33 -1.4873 0.2978 | + | M SVB 1 33 -1.4873 0.2978 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FCCNI0001 | + | ID FL2FCCNI0001 |
| − | KNApSAcK_ID C00008321 | + | KNApSAcK_ID C00008321 |
| − | NAME Amoradicin | + | NAME Amoradicin |
| − | CAS_RN 83677-03-6 | + | CAS_RN 83677-03-6 |
| − | FORMULA C26H30O6 | + | FORMULA C26H30O6 |
| − | EXACTMASS 438.204238692 | + | EXACTMASS 438.204238692 |
| − | AVERAGEMASS 438.51279999999997 | + | AVERAGEMASS 438.51279999999997 |
| − | SMILES COc(c(CC=C(C)C)3)c(c(c(c3O)1)OC(c(c2)ccc(O)c2O)CC1=O)CC=C(C)C | + | SMILES COc(c(CC=C(C)C)3)c(c(c(c3O)1)OC(c(c2)ccc(O)c2O)CC1=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/
32 34 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
2.2182 1.6366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3520 0.9821 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
-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
15 19 1 0 0 0 0
14 20 1 0 0 0 0
2 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
6 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
1 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 33
M SMT 1 OCH3
M SVB 1 33 -1.4873 0.2978
S SKP 8
ID FL2FCCNI0001
KNApSAcK_ID C00008321
NAME Amoradicin
CAS_RN 83677-03-6
FORMULA C26H30O6
EXACTMASS 438.204238692
AVERAGEMASS 438.51279999999997
SMILES COc(c(CC=C(C)C)3)c(c(c(c3O)1)OC(c(c2)ccc(O)c2O)CC1=O)CC=C(C)C
M END
