Mol:FL2FA9NI0002
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 |
| − | -0.5993 0.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5993 0.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5993 -0.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5993 -0.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0430 -0.8519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0430 -0.8519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5133 -0.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5133 -0.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5133 0.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5133 0.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0430 0.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0430 0.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0696 -0.8519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0696 -0.8519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6259 -0.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6259 -0.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6259 0.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6259 0.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0696 0.4328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0696 0.4328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1820 0.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1820 0.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7490 0.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7490 0.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3159 0.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3159 0.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3159 1.0874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3159 1.0874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7490 1.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7490 1.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1820 1.0874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1820 1.0874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0696 -1.3957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0696 -1.3957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1554 0.4327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1554 0.4327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0430 -1.4940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0430 -1.4940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6111 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6111 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0666 0.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0666 0.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7932 0.8524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7932 0.8524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0829 1.0427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0829 1.0427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9652 1.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9652 1.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3159 0.5506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3159 0.5506 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 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 |
| − | 9 11 1 0 0 0 0 | + | 9 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 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 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 18 20 1 0 0 0 0 | + | 18 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 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 21 1 0 0 0 0 | + | 23 21 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FA9NI0002 | + | ID FL2FA9NI0002 |
| − | KNApSAcK_ID C00008163 | + | KNApSAcK_ID C00008163 |
| − | NAME 5-Hydroxy-7-(3-methyl-2,3-epoxybutoxy)flavanone | + | NAME 5-Hydroxy-7-(3-methyl-2,3-epoxybutoxy)flavanone |
| − | CAS_RN 94390-14-4 | + | CAS_RN 94390-14-4 |
| − | FORMULA C20H20O5 | + | FORMULA C20H20O5 |
| − | EXACTMASS 340.13107375 | + | EXACTMASS 340.13107375 |
| − | AVERAGEMASS 340.3698 | + | AVERAGEMASS 340.3698 |
| − | SMILES C(C1)(c(c4)cccc4)Oc(c2)c(c(cc(OCC(C(C)(C)3)O3)2)O)C(=O)1 | + | SMILES C(C1)(c(c4)cccc4)Oc(c2)c(c(cc(OCC(C(C)(C)3)O3)2)O)C(=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 28 0 0 0 0 0 0 0 0999 V2000
-0.5993 0.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5993 -0.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0430 -0.8519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5133 -0.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5133 0.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0430 0.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0696 -0.8519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6259 -0.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6259 0.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0696 0.4328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1820 0.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7490 0.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3159 0.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3159 1.0874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7490 1.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1820 1.0874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0696 -1.3957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1554 0.4327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0430 -1.4940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6111 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0666 0.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7932 0.8524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0829 1.0427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9652 1.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3159 0.5506 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 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
9 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 2 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
18 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 21 1 0 0 0 0
22 24 1 0 0 0 0
22 25 1 0 0 0 0
S SKP 8
ID FL2FA9NI0002
KNApSAcK_ID C00008163
NAME 5-Hydroxy-7-(3-methyl-2,3-epoxybutoxy)flavanone
CAS_RN 94390-14-4
FORMULA C20H20O5
EXACTMASS 340.13107375
AVERAGEMASS 340.3698
SMILES C(C1)(c(c4)cccc4)Oc(c2)c(c(cc(OCC(C(C)(C)3)O3)2)O)C(=O)1
M END
