Mol:FLIBALNI0011
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 36 38 0 0 0 0 0 0 0 0999 V2000 | + | 36 38 0 0 0 0 0 0 0 0999 V2000 |
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| − | -3.5068 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5068 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9505 0.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9505 0.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3942 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3942 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3942 1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3942 1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -1.8379 1.4426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8379 1.4426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7255 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7255 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -0.1307 -0.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1307 -0.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4641 -0.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4641 -0.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4641 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4641 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1307 0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1307 0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8379 -0.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8379 -0.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0536 -0.8692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0536 -0.8692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0629 1.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0629 1.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9505 -0.4843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9505 -0.4843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0583 0.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0583 0.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6525 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6525 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2467 0.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2467 0.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2467 1.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2467 1.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8409 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8409 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9831 0.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9831 0.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5773 0.5423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5773 0.5423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5773 1.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5773 1.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1715 0.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1715 0.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3889 0.5423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3889 0.5423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0629 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0629 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -1.3197 -0.8719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3197 -0.8719 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 |
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| − | 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 |
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| − | 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 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 18 14 1 0 0 0 0 | + | 18 14 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 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 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 30 25 1 0 0 0 0 | + | 30 25 1 0 0 0 0 |
| − | 2 31 1 0 0 0 0 | + | 2 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | 12 36 1 0 0 0 0 | + | 12 36 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIBALNI0011 | + | ID FLIBALNI0011 |
| − | KNApSAcK_ID C00009969 | + | KNApSAcK_ID C00009969 |
| − | NAME Sophoraisoflavanone D | + | NAME Sophoraisoflavanone D |
| − | CAS_RN 133740-39-3 | + | CAS_RN 133740-39-3 |
| − | FORMULA C30H36O6 | + | FORMULA C30H36O6 |
| − | EXACTMASS 492.251188884 | + | EXACTMASS 492.251188884 |
| − | AVERAGEMASS 492.60324 | + | AVERAGEMASS 492.60324 |
| − | SMILES C(C)(C)=CCc(c(O)3)c(O)cc(c32)OCC(C2=O)c(c1)c(cc(c(CC=C(CCC=C(C)C)C)1)O)O | + | SMILES C(C)(C)=CCc(c(O)3)c(O)cc(c32)OCC(C2=O)c(c1)c(cc(c(CC=C(CCC=C(C)C)C)1)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
36 38 0 0 0 0 0 0 0 0999 V2000
-3.5068 1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5068 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9505 0.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3942 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3942 1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9505 1.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8379 0.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2816 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2816 1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8379 1.4426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7255 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7255 -0.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1307 -0.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4641 -0.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4641 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1307 0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8379 -0.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0536 -0.8692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0629 1.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9505 -0.4843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0583 0.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6525 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2467 0.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2467 1.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8409 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9831 0.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5773 0.5423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5773 1.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1715 0.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3889 0.5423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0629 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0629 -0.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6178 -0.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6178 -1.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1715 -0.4835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3197 -0.8719 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
1 2 1 0 0 0 0
7 17 2 0 0 0 0
18 14 1 0 0 0 0
1 19 1 0 0 0 0
3 20 1 0 0 0 0
15 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
26 27 2 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
26 30 1 0 0 0 0
30 25 1 0 0 0 0
2 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 2 0 0 0 0
33 34 1 0 0 0 0
33 35 1 0 0 0 0
12 36 1 0 0 0 0
S SKP 8
ID FLIBALNI0011
KNApSAcK_ID C00009969
NAME Sophoraisoflavanone D
CAS_RN 133740-39-3
FORMULA C30H36O6
EXACTMASS 492.251188884
AVERAGEMASS 492.60324
SMILES C(C)(C)=CCc(c(O)3)c(O)cc(c32)OCC(C2=O)c(c1)c(cc(c(CC=C(CCC=C(C)C)C)1)O)O
M END
