Mol:FLIF1LNF0008
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 34 0 0 0 0 0 0 0 0999 V2000 | + | 30 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8722 0.1702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8722 0.1702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8722 -0.4722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8722 -0.4722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3159 -0.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3159 -0.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7596 -0.4722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7596 -0.4722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7596 0.1702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7596 0.1702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3159 0.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3159 0.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2033 -0.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2033 -0.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3530 -0.4722 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.3530 -0.4722 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.3530 0.1702 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.3530 0.1702 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.2033 0.4913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2033 0.4913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9091 -0.7933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9091 -0.7933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9091 -1.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9091 -1.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5039 -1.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5039 -1.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0987 -1.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0987 -1.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0987 -0.7933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0987 -0.7933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5039 -0.4499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5039 -0.4499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2033 -1.4355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2033 -1.4355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5309 0.1702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5309 0.1702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9093 0.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9093 0.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4495 1.1197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4495 1.1197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0883 1.1868 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.0883 1.1868 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -2.3496 0.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3496 0.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4094 1.7429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4094 1.7429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0890 2.2978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0890 2.2978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0501 1.7429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0501 1.7429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7931 2.4075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7931 2.4075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0865 -1.9950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0865 -1.9950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8010 -2.4075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8010 -2.4075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0987 -1.4801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0987 -1.4801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0987 -1.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0987 -1.4801 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 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 9 1 0 0 0 0 | + | 19 9 1 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 0 0 0 0 | + | 21 23 1 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 |
| − | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
| − | 13 27 1 0 0 0 0 | + | 13 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 14 29 1 0 0 0 0 | + | 14 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 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 29 30 | + | M SAL 2 2 29 30 |
| − | M SBL 2 1 33 | + | M SBL 2 1 33 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 33 2.3356 -1.6863 | + | M SVB 2 33 2.3356 -1.6863 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 27 28 | + | M SAL 1 2 27 28 |
| − | M SBL 1 1 31 | + | M SBL 1 1 31 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 31 1.0865 -1.995 | + | M SVB 1 31 1.0865 -1.995 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIF1LNF0008 | + | ID FLIF1LNF0008 |
| − | KNApSAcK_ID C00009577 | + | KNApSAcK_ID C00009577 |
| − | NAME Dalpanol;6',7'-Dihydro-6'-hydroxyrotenone | + | NAME Dalpanol;6',7'-Dihydro-6'-hydroxyrotenone |
| − | CAS_RN 30462-22-7 | + | CAS_RN 30462-22-7 |
| − | FORMULA C23H24O7 | + | FORMULA C23H24O7 |
| − | EXACTMASS 412.152203122 | + | EXACTMASS 412.152203122 |
| − | AVERAGEMASS 412.43246 | + | AVERAGEMASS 412.43246 |
| − | SMILES c(c51)c(c(OC)cc(OCC(C45)Oc(c3C(=O)4)c(c(cc3)2)CC(C(C)(C)O)O2)1)OC | + | SMILES c(c51)c(c(OC)cc(OCC(C45)Oc(c3C(=O)4)c(c(cc3)2)CC(C(C)(C)O)O2)1)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 34 0 0 0 0 0 0 0 0999 V2000
-1.8722 0.1702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8722 -0.4722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3159 -0.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7596 -0.4722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7596 0.1702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3159 0.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2033 -0.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3530 -0.4722 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.3530 0.1702 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.2033 0.4913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9091 -0.7933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9091 -1.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5039 -1.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0987 -1.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0987 -0.7933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5039 -0.4499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2033 -1.4355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5309 0.1702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9093 0.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4495 1.1197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0883 1.1868 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.3496 0.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4094 1.7429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0890 2.2978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0501 1.7429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7931 2.4075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0865 -1.9950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8010 -2.4075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0987 -1.4801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0987 -1.4801 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 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 11 2 0 0 0 0
7 17 2 0 0 0 0
16 18 1 0 0 0 0
18 19 1 0 0 0 0
19 9 1 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 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
23 26 1 0 0 0 0
13 27 1 0 0 0 0
27 28 1 0 0 0 0
14 29 1 0 0 0 0
29 30 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 29 30
M SBL 2 1 33
M SMT 2 OCH3
M SVB 2 33 2.3356 -1.6863
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 27 28
M SBL 1 1 31
M SMT 1 OCH3
M SVB 1 31 1.0865 -1.995
S SKP 8
ID FLIF1LNF0008
KNApSAcK_ID C00009577
NAME Dalpanol;6',7'-Dihydro-6'-hydroxyrotenone
CAS_RN 30462-22-7
FORMULA C23H24O7
EXACTMASS 412.152203122
AVERAGEMASS 412.43246
SMILES c(c51)c(c(OC)cc(OCC(C45)Oc(c3C(=O)4)c(c(cc3)2)CC(C(C)(C)O)O2)1)OC
M END
