Mol:FLIB1LNI0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0022 -0.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0022 -0.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0022 -0.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0022 -0.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4459 -1.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4459 -1.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8896 -0.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8896 -0.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8896 -0.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8896 -0.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4459 0.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4459 0.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3333 -1.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3333 -1.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2230 -0.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2230 -0.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2230 -0.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2230 -0.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3333 0.0384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3333 0.0384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7791 -1.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7791 -1.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7791 -1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7791 -1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3739 -2.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3739 -2.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9687 -1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9687 -1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9687 -1.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9687 -1.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3739 -0.9028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3739 -0.9028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3333 -1.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3333 -1.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5583 -2.2733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5583 -2.2733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5583 0.0383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5583 0.0383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4459 0.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4459 0.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0020 1.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0020 1.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0020 1.6437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0020 1.6437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4459 1.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4459 1.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5581 1.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5581 1.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3739 -0.2166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3739 -0.2166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0020 2.2764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0020 2.2764 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 |
| − | 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 |
| − | 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 |
| − | 6 20 1 0 0 0 0 | + | 6 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 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 16 25 1 0 0 0 0 | + | 16 25 1 0 0 0 0 |
| − | 22 26 1 0 0 0 0 | + | 22 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIB1LNI0002 | + | ID FLIB1LNI0002 |
| − | KNApSAcK_ID C00009956 | + | KNApSAcK_ID C00009956 |
| − | NAME 5-Deoxykievitone hydrate;7,2',4'-Trihydroxy-8-(3-hydroxy-3-methylbutyl)isoflavanone | + | NAME 5-Deoxykievitone hydrate;7,2',4'-Trihydroxy-8-(3-hydroxy-3-methylbutyl)isoflavanone |
| − | CAS_RN 94388-79-1 | + | CAS_RN 94388-79-1 |
| − | FORMULA C20H22O6 | + | FORMULA C20H22O6 |
| − | EXACTMASS 358.141638436 | + | EXACTMASS 358.141638436 |
| − | AVERAGEMASS 358.38508 | + | AVERAGEMASS 358.38508 |
| − | SMILES c(c1)c(c(CCC(C)(C)O)c(O2)c(C(C(c(c3)c(O)cc(O)c3)C2)=O)1)O | + | SMILES c(c1)c(c(CCC(C)(C)O)c(O2)c(C(C(c(c3)c(O)cc(O)c3)C2)=O)1)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-2.0022 -0.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0022 -0.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4459 -1.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8896 -0.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8896 -0.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4459 0.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3333 -1.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2230 -0.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2230 -0.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3333 0.0384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7791 -1.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7791 -1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3739 -2.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9687 -1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9687 -1.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3739 -0.9028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3333 -1.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5583 -2.2733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5583 0.0383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4459 0.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0020 1.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0020 1.6437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4459 1.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5581 1.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3739 -0.2166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0020 2.2764 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
6 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
22 24 1 0 0 0 0
16 25 1 0 0 0 0
22 26 1 0 0 0 0
S SKP 8
ID FLIB1LNI0002
KNApSAcK_ID C00009956
NAME 5-Deoxykievitone hydrate;7,2',4'-Trihydroxy-8-(3-hydroxy-3-methylbutyl)isoflavanone
CAS_RN 94388-79-1
FORMULA C20H22O6
EXACTMASS 358.141638436
AVERAGEMASS 358.38508
SMILES c(c1)c(c(CCC(C)(C)O)c(O2)c(C(C(c(c3)c(O)cc(O)c3)C2)=O)1)O
M END
