Mol:FLIDHXNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 28 0 0 0 0 0 0 0 0999 V2000 | + | 24 28 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.0508 -0.9960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0508 -0.9960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3877 -0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3877 -0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2119 0.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2119 0.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1752 0.8105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1752 0.8105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3913 1.1376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3913 1.1376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9269 0.7808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9269 0.7808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5619 1.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5619 1.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1969 0.7808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1969 0.7808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1969 0.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1969 0.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5619 -0.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5619 -0.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9269 0.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9269 0.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7301 -0.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7301 -0.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7301 -0.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7301 -0.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3017 -1.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3017 -1.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8733 -0.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8733 -0.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8733 -0.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8733 -0.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3017 0.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3017 0.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5011 -1.0214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5011 -1.0214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8890 -0.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8890 -0.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5011 0.0466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5011 0.0466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8861 0.4989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8861 0.4989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8438 -0.6927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8438 -0.6927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0640 1.1184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0640 1.1184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8890 1.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8890 1.1184 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 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 7 2 0 0 0 0 | + | 6 7 2 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 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 6 1 0 0 0 0 | + | 11 6 1 0 0 0 0 |
| − | 11 2 1 0 0 0 0 | + | 11 2 1 0 0 0 0 |
| − | 3 12 1 0 0 0 0 | + | 3 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 16 1 0 0 0 0 | + | 20 16 1 0 0 0 0 |
| − | 3 21 1 1 0 0 0 | + | 3 21 1 1 0 0 0 |
| − | 1 13 1 0 0 0 0 | + | 1 13 1 0 0 0 0 |
| − | 2 22 1 1 0 0 0 | + | 2 22 1 1 0 0 0 |
| − | 8 23 1 0 0 0 0 | + | 8 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 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 2 23 24 | + | M SAL 1 2 23 24 |
| − | M SBL 1 1 27 | + | M SBL 1 1 27 |
| − | M SMT 1 ^OCH3 | + | M SMT 1 ^OCH3 |
| − | M SBV 1 27 -5.2740 4.7210 | + | M SBV 1 27 -5.2740 4.7210 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIDHXNS0001 | + | ID FLIDHXNS0001 |
| − | KNApSAcK_ID C00000651 | + | KNApSAcK_ID C00000651 |
| − | NAME (+)-Pisatin;6a-Hydroxy-3-methoxy-8,9-methylenedioxypterocarpan | + | NAME (+)-Pisatin;6a-Hydroxy-3-methoxy-8,9-methylenedioxypterocarpan |
| − | CAS_RN 469-01-2 | + | CAS_RN 469-01-2 |
| − | FORMULA C17H14O6 | + | FORMULA C17H14O6 |
| − | EXACTMASS 314.07903818 | + | EXACTMASS 314.07903818 |
| − | AVERAGEMASS 314.28945999999996 | + | AVERAGEMASS 314.28945999999996 |
| − | SMILES COc(c5)cc(O4)c(c5)C([H])(O1)C(O)(C4)c(c2)c(cc(O3)c(OC3)2)1 | + | SMILES COc(c5)cc(O4)c(c5)C([H])(O1)C(O)(C4)c(c2)c(cc(O3)c(OC3)2)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 28 0 0 0 0 0 0 0 0999 V2000
0.0508 -0.9960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3877 -0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2119 0.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1752 0.8105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3913 1.1376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9269 0.7808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5619 1.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1969 0.7808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1969 0.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5619 -0.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9269 0.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7301 -0.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7301 -0.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3017 -1.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8733 -0.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8733 -0.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3017 0.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5011 -1.0214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8890 -0.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5011 0.0466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8861 0.4989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8438 -0.6927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0640 1.1184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8890 1.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
4 3 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 2 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 11 2 0 0 0 0
11 6 1 0 0 0 0
11 2 1 0 0 0 0
3 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 17 2 0 0 0 0
17 12 1 0 0 0 0
15 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 16 1 0 0 0 0
3 21 1 1 0 0 0
1 13 1 0 0 0 0
2 22 1 1 0 0 0
8 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 23 24
M SBL 1 1 27
M SMT 1 ^OCH3
M SBV 1 27 -5.2740 4.7210
S SKP 8
ID FLIDHXNS0001
KNApSAcK_ID C00000651
NAME (+)-Pisatin;6a-Hydroxy-3-methoxy-8,9-methylenedioxypterocarpan
CAS_RN 469-01-2
FORMULA C17H14O6
EXACTMASS 314.07903818
AVERAGEMASS 314.28945999999996
SMILES COc(c5)cc(O4)c(c5)C([H])(O1)C(O)(C4)c(c2)c(cc(O3)c(OC3)2)1
M END
