Mol:FLIABCNI0001
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 1.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0045 1.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0045 1.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0045 1.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4482 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4482 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8919 1.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8919 1.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8919 1.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8919 1.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4482 2.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4482 2.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3356 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3356 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2207 1.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2207 1.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2207 1.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2207 1.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3356 2.1866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3356 2.1866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7768 0.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7768 0.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7768 0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7768 0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3716 -0.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3716 -0.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9664 0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9664 0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9664 0.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9664 0.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3716 1.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3716 1.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3356 0.2597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3356 0.2597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5606 2.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5606 2.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5606 -0.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5606 -0.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3716 -0.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3716 -0.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9658 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9658 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9658 -1.8435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9658 -1.8435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5600 -2.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5600 -2.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3716 -2.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3716 -2.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5606 1.2450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5606 1.2450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8846 0.7413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8846 0.7413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1701 0.3288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1701 0.3288 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 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 |
| − | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 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 |
| − | 15 25 1 0 0 0 0 | + | 15 25 1 0 0 0 0 |
| − | 3 26 1 0 0 0 0 | + | 3 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 26 27 | + | M SAL 1 2 26 27 |
| − | M SBL 1 1 28 | + | M SBL 1 1 28 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 28 -5.1593 5.4380 | + | M SBV 1 28 -5.1593 5.4380 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIABCNI0001 | + | ID FLIABCNI0001 |
| − | KNApSAcK_ID C00009877 | + | KNApSAcK_ID C00009877 |
| − | NAME Glisoflavone;7,3',4'-Trihydroxy-5-methoxy-5'-prenylisoflavone | + | NAME Glisoflavone;7,3',4'-Trihydroxy-5-methoxy-5'-prenylisoflavone |
| − | CAS_RN 125709-32-2 | + | CAS_RN 125709-32-2 |
| − | FORMULA C21H20O6 | + | FORMULA C21H20O6 |
| − | EXACTMASS 368.125988372 | + | EXACTMASS 368.125988372 |
| − | AVERAGEMASS 368.37989999999996 | + | AVERAGEMASS 368.37989999999996 |
| − | SMILES COc(c3)c(c(cc(O)3)1)C(C(c(c2)cc(c(O)c(O)2)CC=C(C)C)=CO1)=O | + | SMILES COc(c3)c(c(cc(O)3)1)C(C(c(c2)cc(c(O)c(O)2)CC=C(C)C)=CO1)=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/
27 29 0 0 0 0 0 0 0 0999 V2000
-2.0045 1.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0045 1.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8919 1.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8919 1.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 2.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3356 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2207 1.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2207 1.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3356 2.1866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7768 0.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7768 0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3716 -0.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9664 0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9664 0.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3716 1.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3356 0.2597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5606 2.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5606 -0.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3716 -0.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9658 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9658 -1.8435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5600 -2.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3716 -2.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5606 1.2450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8846 0.7413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1701 0.3288 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 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
13 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
15 25 1 0 0 0 0
3 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 28
M SMT 1 OCH3
M SBV 1 28 -5.1593 5.4380
S SKP 8
ID FLIABCNI0001
KNApSAcK_ID C00009877
NAME Glisoflavone;7,3',4'-Trihydroxy-5-methoxy-5'-prenylisoflavone
CAS_RN 125709-32-2
FORMULA C21H20O6
EXACTMASS 368.125988372
AVERAGEMASS 368.37989999999996
SMILES COc(c3)c(c(cc(O)3)1)C(C(c(c2)cc(c(O)c(O)2)CC=C(C)C)=CO1)=O
M END
