Mol:FLIB1LNS0005
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 25 0 0 0 0 0 0 0 0999 V2000 | + | 22 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2357 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2357 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2357 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2357 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6794 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6794 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1231 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1231 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1231 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1231 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6794 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6794 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5668 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5668 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0105 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0105 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0105 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0105 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5668 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5668 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5456 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5456 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5456 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5456 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1404 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1404 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7352 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7352 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7352 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7352 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1404 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1404 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5668 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5668 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7920 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7920 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0486 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0486 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3883 -1.0262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3883 -1.0262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7920 -0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7920 -0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3883 0.0850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3883 0.0850 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 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 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 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 FLIB1LNS0005 | + | ID FLIB1LNS0005 |
| − | KNApSAcK_ID C00009539 | + | KNApSAcK_ID C00009539 |
| − | NAME (+)-Sophorol;7,2'-Dihydroxy-4',5'-methylenedioxyisoflavanone | + | NAME (+)-Sophorol;7,2'-Dihydroxy-4',5'-methylenedioxyisoflavanone |
| − | CAS_RN 524-08-3 | + | CAS_RN 524-08-3 |
| − | FORMULA C16H12O6 | + | FORMULA C16H12O6 |
| − | EXACTMASS 300.063388116 | + | EXACTMASS 300.063388116 |
| − | AVERAGEMASS 300.26288 | + | AVERAGEMASS 300.26288 |
| − | SMILES Oc(c4)cc(O3)c(c4)C(=O)C(C3)c(c1)c(O)cc(O2)c(OC2)1 | + | SMILES Oc(c4)cc(O3)c(c4)C(=O)C(C3)c(c1)c(O)cc(O2)c(OC2)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 25 0 0 0 0 0 0 0 0999 V2000
-2.2357 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2357 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6794 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1231 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1231 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6794 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5668 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0105 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0105 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5668 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5456 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5456 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1404 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7352 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7352 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1404 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5668 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7920 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0486 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3883 -1.0262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7920 -0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3883 0.0850 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 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 2 0 0 0 0
1 18 1 0 0 0 0
12 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 FLIB1LNS0005
KNApSAcK_ID C00009539
NAME (+)-Sophorol;7,2'-Dihydroxy-4',5'-methylenedioxyisoflavanone
CAS_RN 524-08-3
FORMULA C16H12O6
EXACTMASS 300.063388116
AVERAGEMASS 300.26288
SMILES Oc(c4)cc(O3)c(c4)C(=O)C(C3)c(c1)c(O)cc(O2)c(OC2)1
M END
