Mol:FLIE1ANP0002
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 29 0 0 0 0 0 0 0 0999 V2000 | + | 25 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.5795 0.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5795 0.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5795 0.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5795 0.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0232 0.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0232 0.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4669 0.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4669 0.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4669 0.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4669 0.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0232 1.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0232 1.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9106 0.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9106 0.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3543 0.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3543 0.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3543 0.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3543 0.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9106 1.3158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9106 1.3158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2018 0.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2018 0.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2018 -0.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2018 -0.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7966 -0.9991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7966 -0.9991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3913 -0.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3913 -0.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3913 0.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3913 0.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7966 0.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7966 0.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9048 -0.6554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9048 -0.6554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1358 1.3158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1358 1.3158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2018 1.3156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2018 1.3156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9861 -0.9991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9861 -0.9991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5809 -0.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5809 -0.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5809 0.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5809 0.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9861 0.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9861 0.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5809 -1.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5809 -1.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1358 -0.3353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1358 -0.3353 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 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 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 |
| − | 9 19 2 0 0 0 0 | + | 9 19 2 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 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 15 1 0 0 0 0 | + | 23 15 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 21 25 1 0 0 0 0 | + | 21 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIE1ANP0002 | + | ID FLIE1ANP0002 |
| − | KNApSAcK_ID C00009774 | + | KNApSAcK_ID C00009774 |
| − | NAME Sophoracoumestan A | + | NAME Sophoracoumestan A |
| − | CAS_RN 77369-93-8 | + | CAS_RN 77369-93-8 |
| − | FORMULA C20H14O5 | + | FORMULA C20H14O5 |
| − | EXACTMASS 334.084123558 | + | EXACTMASS 334.084123558 |
| − | AVERAGEMASS 334.32216 | + | AVERAGEMASS 334.32216 |
| − | SMILES c(c41)c(C=5)c(OC(C5)(C)C)cc(oc(c42)c(c3)c(cc(O)c3)OC2=O)1 | + | SMILES c(c41)c(C=5)c(OC(C5)(C)C)cc(oc(c42)c(c3)c(cc(O)c3)OC2=O)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/
25 29 0 0 0 0 0 0 0 0999 V2000
-2.5795 0.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5795 0.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0232 0.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4669 0.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4669 0.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0232 1.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9106 0.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3543 0.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3543 0.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9106 1.3158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2018 0.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2018 -0.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7966 -0.9991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3913 -0.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3913 0.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7966 0.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9048 -0.6554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1358 1.3158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2018 1.3156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9861 -0.9991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5809 -0.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5809 0.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9861 0.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5809 -1.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1358 -0.3353 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 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 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
9 19 2 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 23 2 0 0 0 0
23 15 1 0 0 0 0
21 24 1 0 0 0 0
21 25 1 0 0 0 0
S SKP 8
ID FLIE1ANP0002
KNApSAcK_ID C00009774
NAME Sophoracoumestan A
CAS_RN 77369-93-8
FORMULA C20H14O5
EXACTMASS 334.084123558
AVERAGEMASS 334.32216
SMILES c(c41)c(C=5)c(OC(C5)(C)C)cc(oc(c42)c(c3)c(cc(O)c3)OC2=O)1
M END
