Mol:FLID3ANS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 20 23 0 0 0 0 0 0 0 0999 V2000 | + | 20 23 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0044 0.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0044 0.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0044 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0044 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4481 -0.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4481 -0.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8918 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8918 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8918 0.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8918 0.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4481 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4481 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3355 -0.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3355 -0.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2208 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2208 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2208 0.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2208 0.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3355 0.8363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3355 0.8363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7769 -0.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7769 -0.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7769 -1.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7769 -1.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3717 -1.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3717 -1.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9665 -1.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9665 -1.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9665 -0.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9665 -0.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3717 -0.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3717 -0.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3296 -1.1348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3296 -1.1348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5607 0.8363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5607 0.8363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5607 -1.4781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5607 -1.4781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4481 1.4785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4481 1.4785 0.0000 O 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 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLID3ANS0002 | + | ID FLID3ANS0002 |
| − | KNApSAcK_ID C00009612 | + | KNApSAcK_ID C00009612 |
| − | NAME 4-Hydroxydemethylmedicarpin;3,4,9-Trihydroxypterocarpan | + | NAME 4-Hydroxydemethylmedicarpin;3,4,9-Trihydroxypterocarpan |
| − | CAS_RN 61255-58-1 | + | CAS_RN 61255-58-1 |
| − | FORMULA C15H12O5 | + | FORMULA C15H12O5 |
| − | EXACTMASS 272.068473494 | + | EXACTMASS 272.068473494 |
| − | AVERAGEMASS 272.25278000000003 | + | AVERAGEMASS 272.25278000000003 |
| − | SMILES Oc(c4)cc(O1)c(c4)C(C3)C1c(c2)c(O3)c(O)c(O)c2 | + | SMILES Oc(c4)cc(O1)c(c4)C(C3)C1c(c2)c(O3)c(O)c(O)c2 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
20 23 0 0 0 0 0 0 0 0999 V2000
-2.0044 0.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0044 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4481 -0.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8918 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8918 0.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4481 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3355 -0.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2208 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2208 0.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3355 0.8363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7769 -0.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7769 -1.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3717 -1.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9665 -1.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9665 -0.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3717 -0.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3296 -1.1348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5607 0.8363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5607 -1.4781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4481 1.4785 0.0000 O 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
6 20 1 0 0 0 0
S SKP 8
ID FLID3ANS0002
KNApSAcK_ID C00009612
NAME 4-Hydroxydemethylmedicarpin;3,4,9-Trihydroxypterocarpan
CAS_RN 61255-58-1
FORMULA C15H12O5
EXACTMASS 272.068473494
AVERAGEMASS 272.25278000000003
SMILES Oc(c4)cc(O1)c(c4)C(C3)C1c(c2)c(O3)c(O)c(O)c2
M END
