Mol:FLIFWYNS0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 30 0 0 0 0 0 0 0 0999 V2000 | + | 27 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0044 -0.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0044 -0.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0044 -0.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0044 -0.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4481 -0.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4481 -0.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8918 -0.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8918 -0.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8918 -0.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8918 -0.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4481 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4481 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3355 -0.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3355 -0.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2208 -0.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2208 -0.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2208 -0.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2208 -0.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3355 0.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3355 0.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7769 -0.9856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7769 -0.9856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7769 -1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7769 -1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3717 -2.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3717 -2.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9665 -1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9665 -1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9665 -0.9856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9665 -0.9856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3717 -0.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3717 -0.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7769 0.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7769 0.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3355 -1.6279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3355 -1.6279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3781 -0.0222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3781 -0.0222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5607 0.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5607 0.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4481 -1.6279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4481 -1.6279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5605 -0.9856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5605 -0.9856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5607 -2.0155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5607 -2.0155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0785 0.7783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0785 0.7783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3641 1.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3641 1.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3641 2.0158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3641 2.0158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6496 0.7783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6496 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 |
| − | 14 23 1 0 0 0 0 | + | 14 23 1 0 0 0 0 |
| − | 17 24 1 0 0 0 0 | + | 17 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 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 24 25 26 27 | + | M SAL 1 4 24 25 26 27 |
| − | M SBL 1 1 27 | + | M SBL 1 1 27 |
| − | M SMT 1 ^OCOCH3 | + | M SMT 1 ^OCOCH3 |
| − | M SBV 1 27 -4.6793 3.9017 | + | M SBV 1 27 -4.6793 3.9017 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIFWYNS0005 | + | ID FLIFWYNS0005 |
| − | KNApSAcK_ID C00009988 | + | KNApSAcK_ID C00009988 |
| − | NAME Repenol;6a,12a-Dehydro-3,9,10,11-tetrahydroxy-6-acetoxyrotenone | + | NAME Repenol;6a,12a-Dehydro-3,9,10,11-tetrahydroxy-6-acetoxyrotenone |
| − | CAS_RN 128486-16-8 | + | CAS_RN 128486-16-8 |
| − | FORMULA C18H12O9 | + | FORMULA C18H12O9 |
| − | EXACTMASS 372.048131982 | + | EXACTMASS 372.048131982 |
| − | AVERAGEMASS 372.28247999999996 | + | AVERAGEMASS 372.28247999999996 |
| − | SMILES O(c12)C(C(O3)=C(C(c(c4O)c3cc(c4O)O)=O)c1ccc(O)c2)OC(C)=O | + | SMILES O(c12)C(C(O3)=C(C(c(c4O)c3cc(c4O)O)=O)c1ccc(O)c2)OC(C)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 30 0 0 0 0 0 0 0 0999 V2000
-2.0044 -0.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0044 -0.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4481 -0.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8918 -0.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8918 -0.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4481 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3355 -0.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2208 -0.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2208 -0.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3355 0.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7769 -0.9856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7769 -1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3717 -2.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9665 -1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9665 -0.9856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3717 -0.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7769 0.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3355 -1.6279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3781 -0.0222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5607 0.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4481 -1.6279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5605 -0.9856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5607 -2.0155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0785 0.7783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3641 1.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3641 2.0158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6496 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
14 23 1 0 0 0 0
17 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
25 27 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 4 24 25 26 27
M SBL 1 1 27
M SMT 1 ^OCOCH3
M SBV 1 27 -4.6793 3.9017
S SKP 8
ID FLIFWYNS0005
KNApSAcK_ID C00009988
NAME Repenol;6a,12a-Dehydro-3,9,10,11-tetrahydroxy-6-acetoxyrotenone
CAS_RN 128486-16-8
FORMULA C18H12O9
EXACTMASS 372.048131982
AVERAGEMASS 372.28247999999996
SMILES O(c12)C(C(O3)=C(C(c(c4O)c3cc(c4O)O)=O)c1ccc(O)c2)OC(C)=O
M END
