Mol:FLIFHXNS0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2825 0.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2825 0.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2825 -0.3678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2825 -0.3678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7262 -0.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7262 -0.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1699 -0.3678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1699 -0.3678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1699 0.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1699 0.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7262 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7262 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6136 -0.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6136 -0.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0573 -0.3678 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.0573 -0.3678 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.0573 0.2746 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.0573 0.2746 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.6136 0.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6136 0.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4988 -0.6888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4988 -0.6888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4988 -1.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4988 -1.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0936 -1.7190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0936 -1.7190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6883 -1.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6883 -1.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6883 -0.6888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6883 -0.6888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0936 -0.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0936 -0.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4988 0.5957 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.4988 0.5957 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.6136 -1.3311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6136 -1.3311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7262 -1.3311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7262 -1.3311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1000 0.2746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1000 0.2746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6398 0.8933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6398 0.8933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1399 1.7593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1399 1.7593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6762 -1.8906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6762 -1.8906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3907 -2.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3907 -2.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5543 -1.8756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5543 -1.8756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4203 -2.3757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4203 -2.3757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8282 1.0656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8282 1.0656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1137 1.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1137 1.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1137 2.3031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1137 2.3031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3992 1.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3992 1.0656 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 |
| − | 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 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 20 17 1 0 0 0 0 | + | 20 17 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 13 23 1 0 0 0 0 | + | 13 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 14 25 1 0 0 0 0 | + | 14 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 17 27 1 0 0 0 0 | + | 17 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 25 26 | + | M SAL 3 2 25 26 |
| − | M SBL 3 1 28 | + | M SBL 3 1 28 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 28 1.9253 -1.5819 | + | M SVB 3 28 1.9253 -1.5819 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 23 24 | + | M SAL 2 2 23 24 |
| − | M SBL 2 1 26 | + | M SBL 2 1 26 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 26 0.6762 -1.8906 | + | M SVB 2 26 0.6762 -1.8906 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 24 | + | M SBL 1 1 24 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 24 -2.6398 0.8933 | + | M SVB 1 24 -2.6398 0.8933 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIFHXNS0004 | + | ID FLIFHXNS0004 |
| − | KNApSAcK_ID C00009976 | + | KNApSAcK_ID C00009976 |
| − | NAME 6-Acetyldihydrostemonal;11-Hydroxy-2,3,9-trimethoxy-6-acetoxyrotenone | + | NAME 6-Acetyldihydrostemonal;11-Hydroxy-2,3,9-trimethoxy-6-acetoxyrotenone |
| − | CAS_RN 125164-62-7 | + | CAS_RN 125164-62-7 |
| − | FORMULA C21H20O9 | + | FORMULA C21H20O9 |
| − | EXACTMASS 416.11073223799997 | + | EXACTMASS 416.11073223799997 |
| − | AVERAGEMASS 416.37809999999996 | + | AVERAGEMASS 416.37809999999996 |
| − | SMILES CC(=O)OC(C42)Oc(c(C2C(c(c(O4)3)c(cc(OC)c3)O)=O)1)cc(OC)c(OC)c1 | + | SMILES CC(=O)OC(C42)Oc(c(C2C(c(c(O4)3)c(cc(OC)c3)O)=O)1)cc(OC)c(OC)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-2.2825 0.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2825 -0.3678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7262 -0.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1699 -0.3678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1699 0.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7262 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6136 -0.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0573 -0.3678 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.0573 0.2746 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.6136 0.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4988 -0.6888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4988 -1.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0936 -1.7190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6883 -1.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6883 -0.6888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0936 -0.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4988 0.5957 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.6136 -1.3311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7262 -1.3311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1000 0.2746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6398 0.8933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1399 1.7593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6762 -1.8906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3907 -2.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5543 -1.8756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4203 -2.3757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8282 1.0656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1137 1.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1137 2.3031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3992 1.0656 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
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
3 19 1 0 0 0 0
16 20 1 0 0 0 0
20 17 1 0 0 0 0
1 21 1 0 0 0 0
21 22 1 0 0 0 0
13 23 1 0 0 0 0
23 24 1 0 0 0 0
14 25 1 0 0 0 0
25 26 1 0 0 0 0
17 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
28 30 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 25 26
M SBL 3 1 28
M SMT 3 OCH3
M SVB 3 28 1.9253 -1.5819
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 26
M SMT 2 OCH3
M SVB 2 26 0.6762 -1.8906
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 24
M SMT 1 OCH3
M SVB 1 24 -2.6398 0.8933
S SKP 8
ID FLIFHXNS0004
KNApSAcK_ID C00009976
NAME 6-Acetyldihydrostemonal;11-Hydroxy-2,3,9-trimethoxy-6-acetoxyrotenone
CAS_RN 125164-62-7
FORMULA C21H20O9
EXACTMASS 416.11073223799997
AVERAGEMASS 416.37809999999996
SMILES CC(=O)OC(C42)Oc(c(C2C(c(c(O4)3)c(cc(OC)c3)O)=O)1)cc(OC)c(OC)c1
M END
