Mol:FLIA3CNS0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 26 0 0 0 0 0 0 0 0999 V2000 | + | 24 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1831 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1831 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1831 0.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1831 0.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6268 -0.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6268 -0.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0705 0.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0705 0.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0705 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0705 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6268 1.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6268 1.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5142 -0.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5142 -0.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0421 0.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0421 0.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0421 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0421 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5142 1.1629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5142 1.1629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5982 -0.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5982 -0.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5982 -0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5982 -0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1930 -1.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1930 -1.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7878 -0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7878 -0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7878 -0.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7878 -0.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1930 0.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1930 0.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5142 -0.7639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5142 -0.7639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7392 1.1628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7392 1.1628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7756 -1.3234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7756 -1.3234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4901 -1.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4901 -1.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7878 -0.8085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7878 -0.8085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7878 -0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7878 -0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3488 1.7359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3488 1.7359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9123 2.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9123 2.6356 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 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 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 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 6 23 1 0 0 0 0 | + | 6 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 23 24 | + | M SAL 3 2 23 24 |
| − | M SBL 3 1 25 | + | M SBL 3 1 25 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 25 -1.3488 1.7359 | + | M SVB 3 25 -1.3488 1.7359 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 21 22 | + | M SAL 2 2 21 22 |
| − | M SBL 2 1 23 | + | M SBL 2 1 23 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 23 2.0247 -1.0148 | + | M SVB 2 23 2.0247 -1.0148 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 19 20 | + | M SAL 1 2 19 20 |
| − | M SBL 1 1 21 | + | M SBL 1 1 21 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 21 0.7756 -1.3234 | + | M SVB 1 21 0.7756 -1.3234 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIA3CNS0003 | + | ID FLIA3CNS0003 |
| − | KNApSAcK_ID C00009416 | + | KNApSAcK_ID C00009416 |
| − | NAME 7-Hydroxy-8,3',4'-trimethoxyisoflavone | + | NAME 7-Hydroxy-8,3',4'-trimethoxyisoflavone |
| − | CAS_RN 61243-31-0 | + | CAS_RN 61243-31-0 |
| − | FORMULA C18H16O6 | + | FORMULA C18H16O6 |
| − | EXACTMASS 328.094688244 | + | EXACTMASS 328.094688244 |
| − | AVERAGEMASS 328.31604 | + | AVERAGEMASS 328.31604 |
| − | SMILES c(c12)(OC)c(O)ccc(C(C(c(c3)cc(OC)c(OC)c3)=CO2)=O)1 | + | SMILES c(c12)(OC)c(O)ccc(C(C(c(c3)cc(OC)c(OC)c3)=CO2)=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/
24 26 0 0 0 0 0 0 0 0999 V2000
-2.1831 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1831 0.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6268 -0.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0705 0.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0705 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6268 1.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5142 -0.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0421 0.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0421 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5142 1.1629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5982 -0.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5982 -0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1930 -1.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7878 -0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7878 -0.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1930 0.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5142 -0.7639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7392 1.1628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7756 -1.3234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4901 -1.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7878 -0.8085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7878 -0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3488 1.7359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9123 2.6356 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 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 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
13 19 1 0 0 0 0
19 20 1 0 0 0 0
14 21 1 0 0 0 0
21 22 1 0 0 0 0
6 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 23 24
M SBL 3 1 25
M SMT 3 OCH3
M SVB 3 25 -1.3488 1.7359
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 23
M SMT 2 OCH3
M SVB 2 23 2.0247 -1.0148
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 0.7756 -1.3234
S SKP 8
ID FLIA3CNS0003
KNApSAcK_ID C00009416
NAME 7-Hydroxy-8,3',4'-trimethoxyisoflavone
CAS_RN 61243-31-0
FORMULA C18H16O6
EXACTMASS 328.094688244
AVERAGEMASS 328.31604
SMILES c(c12)(OC)c(O)ccc(C(C(c(c3)cc(OC)c(OC)c3)=CO2)=O)1
M END
