Mol:FLIFUNNP0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 32 0 0 0 0 0 0 0 0999 V2000 | + | 29 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.5769 -0.6956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5769 -0.6956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8908 -0.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8908 -0.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8908 0.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8908 0.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5769 0.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5769 0.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2629 0.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2629 0.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2629 -0.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2629 -0.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7829 1.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7829 1.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5780 1.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5780 1.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8633 0.9562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8633 0.9562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8897 2.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8897 2.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6964 2.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6964 2.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6890 2.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6890 2.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2902 0.8395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2902 0.8395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1497 -0.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1497 -0.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5660 -0.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5660 -0.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1497 -1.4220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1497 -1.4220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2202 -0.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2202 -0.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8745 -0.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8745 -0.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8745 0.4413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8745 0.4413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2202 0.8190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2202 0.8190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5660 0.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5660 0.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2202 -1.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2202 -1.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8745 -1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8745 -1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5287 -1.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5287 -1.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5287 -0.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5287 -0.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0377 -1.7412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0377 -1.7412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6890 -1.7412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6890 -1.7412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8745 -2.4149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8745 -2.4149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5593 -2.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5593 -2.9608 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 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 5 1 0 0 0 0 | + | 9 5 1 0 0 0 0 |
| − | 8 10 1 1 0 0 0 | + | 8 10 1 1 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 10 12 2 0 0 0 0 | + | 10 12 2 0 0 0 0 |
| − | 3 13 1 0 0 0 0 | + | 3 13 1 0 0 0 0 |
| − | 2 14 1 0 0 0 0 | + | 2 14 1 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 14 16 2 0 0 0 0 | + | 14 16 2 0 0 0 0 |
| − | 15 17 1 0 0 0 0 | + | 15 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 15 1 0 0 0 0 | + | 21 15 1 0 0 0 0 |
| − | 17 22 1 0 0 0 0 | + | 17 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 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 18 1 0 0 0 0 | + | 25 18 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 23 28 1 0 0 0 0 | + | 23 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIFUNNP0001 | + | ID FLIFUNNP0001 |
| − | KNApSAcK_ID C00011148 | + | KNApSAcK_ID C00011148 |
| − | NAME Rotenol | + | NAME Rotenol |
| − | CAS_RN 3276-12-8 | + | CAS_RN 3276-12-8 |
| − | FORMULA C23H24O6 | + | FORMULA C23H24O6 |
| − | EXACTMASS 396.1572885 | + | EXACTMASS 396.1572885 |
| − | AVERAGEMASS 396.43306 | + | AVERAGEMASS 396.43306 |
| − | SMILES c(c1)c(C(C(C3)c(c4)c(cc(OC)c4OC)OC3)=O)c(c(C2)c(OC2C(C)=C)1)O | + | SMILES c(c1)c(C(C(C3)c(c4)c(cc(OC)c4OC)OC3)=O)c(c(C2)c(OC2C(C)=C)1)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 32 0 0 0 0 0 0 0 0999 V2000
-1.5769 -0.6956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8908 -0.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8908 0.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5769 0.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2629 0.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2629 -0.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7829 1.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5780 1.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8633 0.9562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8897 2.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6964 2.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6890 2.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2902 0.8395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1497 -0.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5660 -0.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1497 -1.4220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2202 -0.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8745 -0.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8745 0.4413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2202 0.8190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5660 0.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2202 -1.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8745 -1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5287 -1.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5287 -0.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0377 -1.7412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6890 -1.7412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8745 -2.4149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5593 -2.9608 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 1 0 0 0 0
9 5 1 0 0 0 0
8 10 1 1 0 0 0
10 11 1 0 0 0 0
10 12 2 0 0 0 0
3 13 1 0 0 0 0
2 14 1 0 0 0 0
14 15 1 0 0 0 0
14 16 2 0 0 0 0
15 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 15 1 0 0 0 0
17 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 18 1 0 0 0 0
24 26 1 0 0 0 0
26 27 1 0 0 0 0
23 28 1 0 0 0 0
28 29 1 0 0 0 0
S SKP 8
ID FLIFUNNP0001
KNApSAcK_ID C00011148
NAME Rotenol
CAS_RN 3276-12-8
FORMULA C23H24O6
EXACTMASS 396.1572885
AVERAGEMASS 396.43306
SMILES c(c1)c(C(C(C3)c(c4)c(cc(OC)c4OC)OC3)=O)c(c(C2)c(OC2C(C)=C)1)O
M END
