Mol:FLIFWYNS0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 29 0 0 0 0 0 0 0 0999 V2000 | + | 26 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7633 -0.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7633 -0.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7633 -0.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7633 -0.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2070 -0.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2070 -0.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6507 -0.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6507 -0.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6507 -0.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6507 -0.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2070 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2070 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0944 -0.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0944 -0.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4619 -0.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4619 -0.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4619 -0.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4619 -0.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0944 0.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0944 0.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0180 -0.9856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0180 -0.9856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0180 -1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0180 -1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6128 -2.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6128 -2.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2076 -1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2076 -1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2076 -0.9856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2076 -0.9856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6128 -0.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6128 -0.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0180 0.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0180 0.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0944 -1.6279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0944 -1.6279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6192 -0.0222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6192 -0.0222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3196 0.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3196 0.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2070 -1.6279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2070 -1.6279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3194 -0.9856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3194 -0.9856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3196 0.7783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3196 0.7783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6051 1.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6051 1.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6051 2.0158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6051 2.0158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8907 0.7783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8907 0.7783 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 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 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 |
| − | 9 17 1 0 0 0 0 | + | 9 17 1 0 0 0 0 |
| − | 7 18 2 0 0 0 0 | + | 7 18 2 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 19 17 1 0 0 0 0 | + | 19 17 1 0 0 0 0 |
| − | 20 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
| − | 3 21 1 0 0 0 0 | + | 3 21 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
| − | 17 23 1 0 0 0 0 | + | 17 23 1 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 |
| − | 24 26 1 0 0 0 0 | + | 24 26 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 4 23 24 25 26 | + | M SAL 1 4 23 24 25 26 |
| − | M SBL 1 1 26 | + | M SBL 1 1 26 |
| − | M SMT 1 ^OCOCH3 | + | M SMT 1 ^OCOCH3 |
| − | M SBV 1 26 -4.4382 3.9017 | + | M SBV 1 26 -4.4382 3.9017 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIFWYNS0004 | + | ID FLIFWYNS0004 |
| − | KNApSAcK_ID C00009987 | + | KNApSAcK_ID C00009987 |
| − | NAME Repenone;6a,12a-Dehydro-9,10,11-trihydroxy-6-acetoxyrotenone | + | NAME Repenone;6a,12a-Dehydro-9,10,11-trihydroxy-6-acetoxyrotenone |
| − | CAS_RN 128486-15-7 | + | CAS_RN 128486-15-7 |
| − | FORMULA C18H12O8 | + | FORMULA C18H12O8 |
| − | EXACTMASS 356.05321735999996 | + | EXACTMASS 356.05321735999996 |
| − | AVERAGEMASS 356.28308 | + | AVERAGEMASS 356.28308 |
| − | SMILES O(c34)C(C(O1)=C(c3cccc4)C(c(c2O)c1cc(c2O)O)=O)OC(C)=O | + | SMILES O(c34)C(C(O1)=C(c3cccc4)C(c(c2O)c1cc(c2O)O)=O)OC(C)=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/
26 29 0 0 0 0 0 0 0 0999 V2000
-1.7633 -0.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7633 -0.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2070 -0.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6507 -0.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6507 -0.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2070 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0944 -0.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4619 -0.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4619 -0.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0944 0.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0180 -0.9856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0180 -1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6128 -2.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2076 -1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2076 -0.9856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6128 -0.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0180 0.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0944 -1.6279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6192 -0.0222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3196 0.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2070 -1.6279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3194 -0.9856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3196 0.7783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6051 1.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6051 2.0158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8907 0.7783 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 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 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
9 17 1 0 0 0 0
7 18 2 0 0 0 0
16 19 1 0 0 0 0
19 17 1 0 0 0 0
20 1 1 0 0 0 0
3 21 1 0 0 0 0
2 22 1 0 0 0 0
17 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
24 26 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 4 23 24 25 26
M SBL 1 1 26
M SMT 1 ^OCOCH3
M SBV 1 26 -4.4382 3.9017
S SKP 8
ID FLIFWYNS0004
KNApSAcK_ID C00009987
NAME Repenone;6a,12a-Dehydro-9,10,11-trihydroxy-6-acetoxyrotenone
CAS_RN 128486-15-7
FORMULA C18H12O8
EXACTMASS 356.05321735999996
AVERAGEMASS 356.28308
SMILES O(c34)C(C(O1)=C(c3cccc4)C(c(c2O)c1cc(c2O)O)=O)OC(C)=O
M END
