Mol:FLIDECNS0001
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 |
| − | -2.1566 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1566 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1566 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1566 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6003 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6003 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0440 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0440 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0440 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0440 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6003 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6003 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4877 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4877 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0686 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0686 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0686 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0686 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4877 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4877 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6247 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6247 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6247 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6247 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2194 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2194 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8142 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8142 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8142 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8142 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2194 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2194 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4819 -0.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4819 -0.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7129 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7129 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4674 -1.0262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4674 -1.0262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8711 -0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8711 -0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4674 0.0850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4674 0.0850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6003 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6003 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8711 0.2853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8711 0.2853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1566 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1566 -0.1272 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 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 1 0 0 0 0 | + | 7 17 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 15 1 0 0 0 0 | + | 21 15 1 0 0 0 0 |
| − | 3 22 1 0 0 0 0 | + | 3 22 1 0 0 0 0 |
| − | 2 23 1 0 0 0 0 | + | 2 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 -6.8064 4.5989 | + | M SBV 1 27 -6.8064 4.5989 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIDECNS0001 | + | ID FLIDECNS0001 |
| − | KNApSAcK_ID C00009632 | + | KNApSAcK_ID C00009632 |
| − | NAME Trifolian;1,3-Dihydroxy-2-methoxy-8,9-methylenedioxypterocarpan | + | NAME Trifolian;1,3-Dihydroxy-2-methoxy-8,9-methylenedioxypterocarpan |
| − | CAS_RN 73520-83-9 | + | CAS_RN 73520-83-9 |
| − | FORMULA C17H14O7 | + | FORMULA C17H14O7 |
| − | EXACTMASS 330.073952802 | + | EXACTMASS 330.073952802 |
| − | AVERAGEMASS 330.28886 | + | AVERAGEMASS 330.28886 |
| − | SMILES COc(c(O)5)c(O)c(c4c5)C(O1)C(CO4)c(c2)c(cc(O3)c(OC3)2)1 | + | SMILES COc(c(O)5)c(O)c(c4c5)C(O1)C(CO4)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
-2.1566 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1566 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6003 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0440 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0440 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6003 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4877 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0686 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0686 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4877 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6247 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6247 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2194 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8142 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8142 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2194 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4819 -0.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7129 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4674 -1.0262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8711 -0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4674 0.0850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6003 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8711 0.2853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1566 -0.1272 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 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 1 0 0 0 0
1 2 1 0 0 0 0
18 1 1 0 0 0 0
12 17 1 0 0 0 0
14 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 15 1 0 0 0 0
3 22 1 0 0 0 0
2 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 -6.8064 4.5989
S SKP 8
ID FLIDECNS0001
KNApSAcK_ID C00009632
NAME Trifolian;1,3-Dihydroxy-2-methoxy-8,9-methylenedioxypterocarpan
CAS_RN 73520-83-9
FORMULA C17H14O7
EXACTMASS 330.073952802
AVERAGEMASS 330.28886
SMILES COc(c(O)5)c(O)c(c4c5)C(O1)C(CO4)c(c2)c(cc(O3)c(OC3)2)1
M END
