Mol:FLIAALNI0009
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 |
| − | -2.0045 1.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0045 1.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0045 0.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0045 0.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4482 0.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4482 0.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8919 0.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8919 0.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8919 1.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8919 1.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4482 1.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4482 1.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3356 0.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3356 0.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2207 0.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2207 0.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2207 1.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2207 1.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3356 1.6720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3356 1.6720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7768 0.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7768 0.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7768 -0.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7768 -0.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3716 -0.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3716 -0.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9664 -0.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9664 -0.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9664 0.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9664 0.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3716 0.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3716 0.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3356 -0.2549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3356 -0.2549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5606 1.6719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5606 1.6719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4482 -0.2549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4482 -0.2549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5606 -0.6425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5606 -0.6425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3716 1.4169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3716 1.4169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3716 -1.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3716 -1.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9658 -1.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9658 -1.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7774 -1.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7774 -1.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9658 -0.9859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9658 -0.9859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5590 -1.3283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5590 -1.3283 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 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 13 22 1 0 0 0 0 | + | 13 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 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAALNI0009 | + | ID FLIAALNI0009 |
| − | KNApSAcK_ID C00009876 | + | KNApSAcK_ID C00009876 |
| − | NAME Fremontin;5,7,2',4'-Tetrahydroxy-5'-(1''',1'''-dimethylallyl)isoflavone | + | NAME Fremontin;5,7,2',4'-Tetrahydroxy-5'-(1''',1'''-dimethylallyl)isoflavone |
| − | CAS_RN 124166-27-4 | + | CAS_RN 124166-27-4 |
| − | FORMULA C20H18O6 | + | FORMULA C20H18O6 |
| − | EXACTMASS 354.110338308 | + | EXACTMASS 354.110338308 |
| − | AVERAGEMASS 354.35332 | + | AVERAGEMASS 354.35332 |
| − | SMILES C=CC(c(c1O)cc(C(C(=O)2)=COc(c3)c2c(cc(O)3)O)c(c1)O)(C)C | + | SMILES C=CC(c(c1O)cc(C(C(=O)2)=COc(c3)c2c(cc(O)3)O)c(c1)O)(C)C |
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
-2.0045 1.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0045 0.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 0.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8919 0.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8919 1.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 1.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3356 0.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2207 0.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2207 1.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3356 1.6720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7768 0.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7768 -0.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3716 -0.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9664 -0.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9664 0.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3716 0.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3356 -0.2549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5606 1.6719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 -0.2549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5606 -0.6425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3716 1.4169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3716 -1.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9658 -1.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7774 -1.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9658 -0.9859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5590 -1.3283 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
3 19 1 0 0 0 0
14 20 1 0 0 0 0
16 21 1 0 0 0 0
13 22 1 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
22 25 1 0 0 0 0
25 26 2 0 0 0 0
S SKP 8
ID FLIAALNI0009
KNApSAcK_ID C00009876
NAME Fremontin;5,7,2',4'-Tetrahydroxy-5'-(1''',1'''-dimethylallyl)isoflavone
CAS_RN 124166-27-4
FORMULA C20H18O6
EXACTMASS 354.110338308
AVERAGEMASS 354.35332
SMILES C=CC(c(c1O)cc(C(C(=O)2)=COc(c3)c2c(cc(O)3)O)c(c1)O)(C)C
M END
