Mol:FLIAALNI0015
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0045 -0.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0045 -0.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0045 -1.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0045 -1.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4482 -1.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4482 -1.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8919 -1.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8919 -1.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8919 -0.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8919 -0.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4482 -0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4482 -0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3356 -1.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3356 -1.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2207 -1.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2207 -1.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2207 -0.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2207 -0.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 0.7768 -1.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7768 -1.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7768 -2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7768 -2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3716 -2.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3716 -2.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9664 -2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9664 -2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9664 -1.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9664 -1.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3716 -1.0156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3716 -1.0156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3356 -2.0012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3356 -2.0012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 1.3716 -0.3294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3716 -0.3294 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 2 0 0 0 0 | + | 8 9 2 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 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 1 0 0 0 0 | + | 22 23 1 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 |
| − | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
| − | 16 27 1 0 0 0 0 | + | 16 27 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAALNI0015 | + | ID FLIAALNI0015 |
| − | KNApSAcK_ID C00009905 | + | KNApSAcK_ID C00009905 |
| − | NAME 2,3-Dehydrokievitone hydrate;5,7,2',4'-Tetrahydroxy-8-(3-hydroxy-3-methylbutyl)isoflavone | + | NAME 2,3-Dehydrokievitone hydrate;5,7,2',4'-Tetrahydroxy-8-(3-hydroxy-3-methylbutyl)isoflavone |
| − | CAS_RN 104691-93-2 | + | CAS_RN 104691-93-2 |
| − | FORMULA C20H20O7 | + | FORMULA C20H20O7 |
| − | EXACTMASS 372.120902994 | + | EXACTMASS 372.120902994 |
| − | AVERAGEMASS 372.3686 | + | AVERAGEMASS 372.3686 |
| − | SMILES c(c3O)(C1=O)c(c(CCC(C)(C)O)c(O)c3)OC=C(c(c2)c(O)cc(O)c2)1 | + | SMILES c(c3O)(C1=O)c(c(CCC(C)(C)O)c(O)c3)OC=C(c(c2)c(O)cc(O)c2)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/
27 29 0 0 0 0 0 0 0 0999 V2000
-2.0045 -0.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0045 -1.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 -1.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8919 -1.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8919 -0.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 -0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3356 -1.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2207 -1.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2207 -0.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3356 -0.0744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7768 -1.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7768 -2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3716 -2.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9664 -2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9664 -1.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3716 -1.0156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.5606 -0.0745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5606 -2.3888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 -2.0012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 0.5678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0043 0.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0043 1.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5604 1.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 1.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0043 2.3892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3716 -0.3294 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 2 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
1 18 1 0 0 0 0
14 19 1 0 0 0 0
3 20 1 0 0 0 0
6 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
23 26 1 0 0 0 0
16 27 1 0 0 0 0
S SKP 8
ID FLIAALNI0015
KNApSAcK_ID C00009905
NAME 2,3-Dehydrokievitone hydrate;5,7,2',4'-Tetrahydroxy-8-(3-hydroxy-3-methylbutyl)isoflavone
CAS_RN 104691-93-2
FORMULA C20H20O7
EXACTMASS 372.120902994
AVERAGEMASS 372.3686
SMILES c(c3O)(C1=O)c(c(CCC(C)(C)O)c(O)c3)OC=C(c(c2)c(O)cc(O)c2)1
M END
