Mol:FLIE1ANI0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 28 0 0 0 0 0 0 0 0999 V2000 | + | 25 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0044 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0044 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0044 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0044 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4481 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4481 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8918 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8918 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8918 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8918 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4481 0.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4481 0.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3355 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3355 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2208 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2208 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2208 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2208 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3355 0.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3355 0.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7769 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7769 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7769 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7769 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3717 -2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3717 -2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9665 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9665 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9665 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9665 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3717 -0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3717 -0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7769 0.1941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7769 0.1941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3338 -1.7770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3338 -1.7770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5607 0.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5607 0.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5607 -2.1203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5607 -2.1203 0.0000 O 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 |
| − | -2.0042 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0042 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0042 1.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0042 1.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5603 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5603 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4481 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4481 2.1206 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 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 2 0 0 0 0 | + | 7 8 2 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 |
| − | 9 17 2 0 0 0 0 | + | 9 17 2 0 0 0 0 |
| − | 7 18 1 0 0 0 0 | + | 7 18 1 0 0 0 0 |
| − | 19 1 1 0 0 0 0 | + | 19 1 1 0 0 0 0 |
| − | 12 18 1 0 0 0 0 | + | 12 18 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIE1ANI0004 | + | ID FLIE1ANI0004 |
| − | KNApSAcK_ID C00010051 | + | KNApSAcK_ID C00010051 |
| − | NAME Phaseol;3,9-Dihydroxy-4-prenylcoumestan | + | NAME Phaseol;3,9-Dihydroxy-4-prenylcoumestan |
| − | CAS_RN 88478-02-8 | + | CAS_RN 88478-02-8 |
| − | FORMULA C20H16O5 | + | FORMULA C20H16O5 |
| − | EXACTMASS 336.099773622 | + | EXACTMASS 336.099773622 |
| − | AVERAGEMASS 336.33804000000003 | + | AVERAGEMASS 336.33804000000003 |
| − | SMILES C(c(c4O)c(c3cc4)OC(c(c32)c(c1)c(o2)cc(O)c1)=O)C=C(C)C | + | SMILES C(c(c4O)c(c3cc4)OC(c(c32)c(c1)c(o2)cc(O)c1)=O)C=C(C)C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 28 0 0 0 0 0 0 0 0999 V2000
-2.0044 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0044 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4481 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8918 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8918 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4481 0.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3355 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2208 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2208 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3355 0.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7769 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7769 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3717 -2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9665 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9665 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3717 -0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7769 0.1941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3338 -1.7770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5607 0.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5607 -2.1203 0.0000 O 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
-2.0042 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0042 1.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5603 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4481 2.1206 0.0000 C 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 2 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
9 17 2 0 0 0 0
7 18 1 0 0 0 0
19 1 1 0 0 0 0
12 18 1 0 0 0 0
14 20 1 0 0 0 0
6 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
S SKP 8
ID FLIE1ANI0004
KNApSAcK_ID C00010051
NAME Phaseol;3,9-Dihydroxy-4-prenylcoumestan
CAS_RN 88478-02-8
FORMULA C20H16O5
EXACTMASS 336.099773622
AVERAGEMASS 336.33804000000003
SMILES C(c(c4O)c(c3cc4)OC(c(c32)c(c1)c(o2)cc(O)c1)=O)C=C(C)C
M END
