Mol:FLIFHXNS0003
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 |
| − | -2.2825 0.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2825 0.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2825 0.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2825 0.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7262 -0.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7262 -0.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1699 0.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1699 0.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1699 0.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1699 0.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7262 1.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7262 1.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6136 -0.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6136 -0.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0573 0.1649 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.0573 0.1649 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.0573 0.8072 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.0573 0.8072 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.6136 1.1284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6136 1.1284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4988 -0.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4988 -0.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4988 -0.8430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4988 -0.8430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0936 -1.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0936 -1.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6883 -0.8430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6883 -0.8430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6883 -0.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6883 -0.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0936 0.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0936 0.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4988 1.1283 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.4988 1.1283 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.6136 -0.7984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6136 -0.7984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7262 -0.7984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7262 -0.7984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1000 0.8072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1000 0.8072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4987 1.7704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4987 1.7704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6762 -1.3579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6762 -1.3579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3907 -1.7704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3907 -1.7704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6883 -0.8430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6883 -0.8430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6883 -0.8430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6883 -0.8430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6398 1.4260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6398 1.4260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1398 2.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1398 2.2920 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 |
| − | 17 21 1 0 0 0 0 | + | 17 21 1 0 0 0 0 |
| − | 13 22 1 0 0 0 0 | + | 13 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 14 24 1 0 0 0 0 | + | 14 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 1 26 1 0 0 0 0 | + | 1 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 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 26 27 | + | M SAL 3 2 26 27 |
| − | M SBL 3 1 29 | + | M SBL 3 1 29 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 29 -2.6398 1.426 | + | M SVB 3 29 -2.6398 1.426 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 24 25 | + | M SAL 2 2 24 25 |
| − | M SBL 2 1 27 | + | M SBL 2 1 27 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 27 1.9253 -1.0492 | + | M SVB 2 27 1.9253 -1.0492 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 22 23 | + | M SAL 1 2 22 23 |
| − | M SBL 1 1 25 | + | M SBL 1 1 25 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 25 0.6762 -1.3579 | + | M SVB 1 25 0.6762 -1.3579 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIFHXNS0003 | + | ID FLIFHXNS0003 |
| − | KNApSAcK_ID C00009975 | + | KNApSAcK_ID C00009975 |
| − | NAME Dihydrostemonal;6,11-Dihydroxy-2,3,9-trimethoxyrotenone | + | NAME Dihydrostemonal;6,11-Dihydroxy-2,3,9-trimethoxyrotenone |
| − | CAS_RN 125164-60-5 | + | CAS_RN 125164-60-5 |
| − | FORMULA C19H18O8 | + | FORMULA C19H18O8 |
| − | EXACTMASS 374.100167552 | + | EXACTMASS 374.100167552 |
| − | AVERAGEMASS 374.34142 | + | AVERAGEMASS 374.34142 |
| − | SMILES c(c4OC)(OC)cc(c(c4)1)OC(C(O2)C(C(c(c(O)3)c2cc(OC)c3)=O)1)O | + | SMILES c(c4OC)(OC)cc(c(c4)1)OC(C(O2)C(C(c(c(O)3)c2cc(OC)c3)=O)1)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/
27 30 0 0 0 0 0 0 0 0999 V2000
-2.2825 0.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2825 0.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7262 -0.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1699 0.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1699 0.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7262 1.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6136 -0.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0573 0.1649 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.0573 0.8072 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.6136 1.1284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4988 -0.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4988 -0.8430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0936 -1.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6883 -0.8430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6883 -0.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0936 0.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4988 1.1283 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.6136 -0.7984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7262 -0.7984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1000 0.8072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4987 1.7704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6762 -1.3579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3907 -1.7704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6883 -0.8430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6883 -0.8430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6398 1.4260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1398 2.2920 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
17 21 1 0 0 0 0
13 22 1 0 0 0 0
22 23 1 0 0 0 0
14 24 1 0 0 0 0
24 25 1 0 0 0 0
1 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 26 27
M SBL 3 1 29
M SMT 3 OCH3
M SVB 3 29 -2.6398 1.426
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 24 25
M SBL 2 1 27
M SMT 2 OCH3
M SVB 2 27 1.9253 -1.0492
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 25
M SMT 1 OCH3
M SVB 1 25 0.6762 -1.3579
S SKP 8
ID FLIFHXNS0003
KNApSAcK_ID C00009975
NAME Dihydrostemonal;6,11-Dihydroxy-2,3,9-trimethoxyrotenone
CAS_RN 125164-60-5
FORMULA C19H18O8
EXACTMASS 374.100167552
AVERAGEMASS 374.34142
SMILES c(c4OC)(OC)cc(c(c4)1)OC(C(O2)C(C(c(c(O)3)c2cc(OC)c3)=O)1)O
M END
