Mol:FLID2CNS0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 26 0 0 0 0 0 0 0 0999 V2000 | + | 22 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1783 0.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1783 0.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1783 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1783 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6220 -0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6220 -0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0657 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0657 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0657 0.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0657 0.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6220 1.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6220 1.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5094 -0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5094 -0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0469 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0469 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0469 0.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0469 0.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5094 1.1242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5094 1.1242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6030 -0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6030 -0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6030 -0.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6030 -0.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1978 -1.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1978 -1.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7926 -0.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7926 -0.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7926 -0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7926 -0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1978 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1978 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5077 -0.8469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5077 -0.8469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8495 1.1906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8495 1.1906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7344 -0.1604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7344 -0.1604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4458 -1.0594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4458 -1.0594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8495 -0.5038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8495 -0.5038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4458 0.0519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4458 0.0519 0.0000 O 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 |
| − | 7 17 1 0 0 0 0 | + | 7 17 1 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 15 1 0 0 0 0 | + | 22 15 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLID2CNS0005 | + | ID FLID2CNS0005 |
| − | KNApSAcK_ID C00010008 | + | KNApSAcK_ID C00010008 |
| − | NAME 2-Hydroxymaackiain;2,3-Dihydroxy-8,9-methylenedioxypterocarpan | + | NAME 2-Hydroxymaackiain;2,3-Dihydroxy-8,9-methylenedioxypterocarpan |
| − | CAS_RN 128585-10-4 | + | CAS_RN 128585-10-4 |
| − | FORMULA C16H12O6 | + | FORMULA C16H12O6 |
| − | EXACTMASS 300.063388116 | + | EXACTMASS 300.063388116 |
| − | AVERAGEMASS 300.26288 | + | AVERAGEMASS 300.26288 |
| − | SMILES Oc(c5)c(O)cc(c45)C(O1)C(CO4)c(c2)c(cc(O3)c(OC3)2)1 | + | SMILES Oc(c5)c(O)cc(c45)C(O1)C(CO4)c(c2)c(cc(O3)c(OC3)2)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 26 0 0 0 0 0 0 0 0999 V2000
-2.1783 0.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1783 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6220 -0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0657 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0657 0.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6220 1.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5094 -0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0469 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0469 0.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5094 1.1242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6030 -0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6030 -0.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1978 -1.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7926 -0.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7926 -0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1978 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5077 -0.8469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8495 1.1906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7344 -0.1604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4458 -1.0594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8495 -0.5038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4458 0.0519 0.0000 O 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
7 17 1 0 0 0 0
12 17 1 0 0 0 0
1 18 1 0 0 0 0
2 19 1 0 0 0 0
14 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 15 1 0 0 0 0
S SKP 8
ID FLID2CNS0005
KNApSAcK_ID C00010008
NAME 2-Hydroxymaackiain;2,3-Dihydroxy-8,9-methylenedioxypterocarpan
CAS_RN 128585-10-4
FORMULA C16H12O6
EXACTMASS 300.063388116
AVERAGEMASS 300.26288
SMILES Oc(c5)c(O)cc(c45)C(O1)C(CO4)c(c2)c(cc(O3)c(OC3)2)1
M END
