Mol:FLIFWXNF0003
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 33 0 0 0 0 0 0 0 0999 V2000 | + | 29 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8722 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8722 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8722 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8722 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3159 -0.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3159 -0.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7596 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7596 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7596 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7596 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3159 0.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3159 0.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2033 -0.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2033 -0.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3530 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3530 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3530 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3530 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2033 0.5462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2033 0.5462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9091 -0.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9091 -0.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9091 -1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9091 -1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5039 -1.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5039 -1.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0987 -1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0987 -1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0987 -0.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0987 -0.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5039 -0.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5039 -0.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2033 -1.3807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2033 -1.3807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5309 0.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5309 0.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9093 0.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9093 0.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4495 1.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4495 1.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0883 1.2417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.0883 1.2417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -2.3496 0.6548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3496 0.6548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4094 1.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4094 1.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0890 2.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0890 2.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0501 1.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0501 1.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0987 -1.4252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0987 -1.4252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0987 -1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0987 -1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0865 -1.9402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0865 -1.9402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8010 -2.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8010 -2.3527 0.0000 C 0 0 0 0 0 0 0 0 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 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 |
| − | 1 2 1 0 0 0 0 | + | 1 2 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 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 14 26 1 0 0 0 0 | + | 14 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 13 28 1 0 0 0 0 | + | 13 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 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 28 29 | + | M SAL 2 2 28 29 |
| − | M SBL 2 1 32 | + | M SBL 2 1 32 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 32 1.0865 -1.9402 | + | M SVB 2 32 1.0865 -1.9402 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 26 27 | + | M SAL 1 2 26 27 |
| − | M SBL 1 1 30 | + | M SBL 1 1 30 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 30 2.3356 -1.6315 | + | M SVB 1 30 2.3356 -1.6315 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIFWXNF0003 | + | ID FLIFWXNF0003 |
| − | KNApSAcK_ID C00009602 | + | KNApSAcK_ID C00009602 |
| − | NAME Dehydrorotenone;Didehydrorotenone | + | NAME Dehydrorotenone;Didehydrorotenone |
| − | CAS_RN 30990-44-4 | + | CAS_RN 30990-44-4 |
| − | FORMULA C23H20O6 | + | FORMULA C23H20O6 |
| − | EXACTMASS 392.125988372 | + | EXACTMASS 392.125988372 |
| − | AVERAGEMASS 392.4013 | + | AVERAGEMASS 392.4013 |
| − | SMILES c(c51)c(c(OC)cc(OCC(=C45)Oc(c23)c(C(=O)4)ccc2OC(C(C)=C)C3)1)OC | + | SMILES c(c51)c(c(OC)cc(OCC(=C45)Oc(c23)c(C(=O)4)ccc2OC(C(C)=C)C3)1)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 33 0 0 0 0 0 0 0 0999 V2000
-1.8722 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8722 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3159 -0.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7596 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7596 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3159 0.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2033 -0.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3530 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3530 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2033 0.5462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9091 -0.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9091 -1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5039 -1.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0987 -1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0987 -0.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5039 -0.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2033 -1.3807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5309 0.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9093 0.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4495 1.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0883 1.2417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.3496 0.6548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4094 1.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0890 2.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0501 1.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0987 -1.4252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0987 -1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0865 -1.9402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8010 -2.3527 0.0000 C 0 0 0 0 0 0 0 0 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 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
1 2 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 2 0 0 0 0
23 25 1 0 0 0 0
14 26 1 0 0 0 0
26 27 1 0 0 0 0
13 28 1 0 0 0 0
28 29 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 28 29
M SBL 2 1 32
M SMT 2 OCH3
M SVB 2 32 1.0865 -1.9402
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 30
M SMT 1 OCH3
M SVB 1 30 2.3356 -1.6315
S SKP 8
ID FLIFWXNF0003
KNApSAcK_ID C00009602
NAME Dehydrorotenone;Didehydrorotenone
CAS_RN 30990-44-4
FORMULA C23H20O6
EXACTMASS 392.125988372
AVERAGEMASS 392.4013
SMILES c(c51)c(c(OC)cc(OCC(=C45)Oc(c23)c(C(=O)4)ccc2OC(C(C)=C)C3)1)OC
M END
