Mol:FLIFWYNF0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 35 0 0 0 0 0 0 0 0999 V2000 | + | 31 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.3209 0.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3209 0.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3209 -0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3209 -0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8551 -0.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8551 -0.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3894 -0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3894 -0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3894 0.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3894 0.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8551 0.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8551 0.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0764 -0.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0764 -0.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5422 -0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5422 -0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5422 0.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5422 0.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0764 0.3922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0764 0.3922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0080 -0.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0080 -0.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4738 -0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4738 -0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4738 0.1233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4738 0.1233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0080 0.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0080 0.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0080 -1.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0080 -1.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4738 -1.4902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4738 -1.4902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9395 -1.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9395 -1.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9395 -0.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9395 -0.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0157 -1.0282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0157 -1.0282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9959 0.9174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9959 0.9174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5389 0.9459 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.5389 0.9459 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.7337 0.4383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7337 0.4383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8484 1.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8484 1.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3522 1.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3522 1.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5169 2.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5169 2.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0135 0.8188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0135 0.8188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0835 0.8201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0835 0.8201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3030 -1.9324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3030 -1.9324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9429 -2.8653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9429 -2.8653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3522 -2.0160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3522 -2.0160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8131 -2.9035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8131 -2.9035 0.0000 C 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 |
| − | 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 2 0 0 0 0 | + | 8 9 2 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 |
| − | 8 11 1 0 0 0 0 | + | 8 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 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 9 1 0 0 0 0 | + | 14 9 1 0 0 0 0 |
| − | 11 15 1 0 0 0 0 | + | 11 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 12 1 0 0 0 0 | + | 18 12 1 0 0 0 0 |
| − | 7 19 2 0 0 0 0 | + | 7 19 2 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 1 1 0 0 0 0 | + | 22 1 1 0 0 0 0 |
| − | 21 23 1 1 0 0 0 | + | 21 23 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 2 0 0 0 0 | + | 23 25 2 0 0 0 0 |
| − | 21 26 1 6 0 0 0 | + | 21 26 1 6 0 0 0 |
| − | 14 27 2 0 0 0 0 | + | 14 27 2 0 0 0 0 |
| − | 16 28 1 0 0 0 0 | + | 16 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 17 30 1 0 0 0 0 | + | 17 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 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 30 31 | + | M SAL 2 2 30 31 |
| − | M SBL 2 1 34 | + | M SBL 2 1 34 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 34 2.3522 -2.016 | + | M SVB 2 34 2.3522 -2.016 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 28 29 | + | M SAL 1 2 28 29 |
| − | M SBL 1 1 32 | + | M SBL 1 1 32 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 32 1.0252 -1.6437 | + | M SVB 1 32 1.0252 -1.6437 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIFWYNF0001 | + | ID FLIFWYNF0001 |
| − | KNApSAcK_ID C00002569 | + | KNApSAcK_ID C00002569 |
| − | NAME Rotenonone | + | NAME Rotenonone |
| − | CAS_RN 4436-62-7 | + | CAS_RN 4436-62-7 |
| − | FORMULA C23H18O7 | + | FORMULA C23H18O7 |
| − | EXACTMASS 406.10525293 | + | EXACTMASS 406.10525293 |
| − | AVERAGEMASS 406.38482 | + | AVERAGEMASS 406.38482 |
| − | SMILES [C@]([H])(C5)(Oc(c45)ccc(c43)C(C(=C(O3)1)c(c2)c(cc(c2OC)OC)OC(=O)1)=O)C(C)=C | + | SMILES [C@]([H])(C5)(Oc(c45)ccc(c43)C(C(=C(O3)1)c(c2)c(cc(c2OC)OC)OC(=O)1)=O)C(C)=C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 35 0 0 0 0 0 0 0 0999 V2000
-1.3209 0.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3209 -0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8551 -0.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3894 -0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3894 0.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8551 0.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0764 -0.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5422 -0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5422 0.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0764 0.3922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0080 -0.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4738 -0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4738 0.1233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0080 0.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0080 -1.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4738 -1.4902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9395 -1.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9395 -0.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0157 -1.0282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9959 0.9174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5389 0.9459 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.7337 0.4383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8484 1.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3522 1.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5169 2.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0135 0.8188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0835 0.8201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3030 -1.9324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9429 -2.8653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3522 -2.0160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8131 -2.9035 0.0000 C 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
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
8 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 9 1 0 0 0 0
11 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 12 1 0 0 0 0
7 19 2 0 0 0 0
6 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 1 1 0 0 0 0
21 23 1 1 0 0 0
23 24 1 0 0 0 0
23 25 2 0 0 0 0
21 26 1 6 0 0 0
14 27 2 0 0 0 0
16 28 1 0 0 0 0
28 29 1 0 0 0 0
17 30 1 0 0 0 0
30 31 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 30 31
M SBL 2 1 34
M SMT 2 OCH3
M SVB 2 34 2.3522 -2.016
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 28 29
M SBL 1 1 32
M SMT 1 OCH3
M SVB 1 32 1.0252 -1.6437
S SKP 8
ID FLIFWYNF0001
KNApSAcK_ID C00002569
NAME Rotenonone
CAS_RN 4436-62-7
FORMULA C23H18O7
EXACTMASS 406.10525293
AVERAGEMASS 406.38482
SMILES [C@]([H])(C5)(Oc(c45)ccc(c43)C(C(=C(O3)1)c(c2)c(cc(c2OC)OC)OC(=O)1)=O)C(C)=C
M END
