Mol:FLIAGCNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 31 0 0 0 0 0 0 0 0999 V2000 | + | 28 31 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8834 0.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8834 0.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8834 0.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8834 0.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3271 -0.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3271 -0.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7708 0.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7708 0.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7708 0.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7708 0.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3271 1.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3271 1.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2145 -0.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2145 -0.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3418 0.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3418 0.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3418 0.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3418 0.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2145 1.2427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2145 1.2427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8979 -0.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8979 -0.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8979 -0.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8979 -0.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4927 -1.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4927 -1.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0875 -0.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0875 -0.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0875 -0.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0875 -0.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4927 0.3015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4927 0.3015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2145 -0.6842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2145 -0.6842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6355 -1.7439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6355 -1.7439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3185 -1.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3185 -1.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5979 -1.1883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5979 -1.1883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5979 0.3706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5979 0.3706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5898 0.4976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5898 0.4976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3271 -1.0420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3271 -1.0420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3271 -2.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3271 -2.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0490 1.8157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0490 1.8157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6124 2.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6124 2.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2406 1.5402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2406 1.5402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7406 2.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7406 2.4062 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 |
| − | 13 18 1 0 0 0 0 | + | 13 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 14 1 0 0 0 0 | + | 20 14 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 3 23 1 0 0 0 0 | + | 3 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 6 25 1 0 0 0 0 | + | 6 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 1 27 1 0 0 0 0 | + | 1 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | M STY 1 4 SUP | + | M STY 1 4 SUP |
| − | M SLB 1 4 4 | + | M SLB 1 4 4 |
| − | M SAL 4 2 27 28 | + | M SAL 4 2 27 28 |
| − | M SBL 4 1 30 | + | M SBL 4 1 30 |
| − | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
| − | M SVB 4 30 -2.2406 1.5402 | + | M SVB 4 30 -2.2406 1.5402 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 25 26 | + | M SAL 3 2 25 26 |
| − | M SBL 3 1 28 | + | M SBL 3 1 28 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 28 -1.049 1.8157 | + | M SVB 3 28 -1.049 1.8157 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 23 24 | + | M SAL 2 2 23 24 |
| − | M SBL 2 1 26 | + | M SBL 2 1 26 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 26 -1.7635 -0.2026 | + | M SVB 2 26 -1.7635 -0.2026 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 24 | + | M SBL 1 1 24 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 24 -2.5979 0.3706 | + | M SVB 1 24 -2.5979 0.3706 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAGCNS0001 | + | ID FLIAGCNS0001 |
| − | KNApSAcK_ID C00009491 | + | KNApSAcK_ID C00009491 |
| − | NAME 5,6,7,8-Tetramethoxy-3',4'-methylenedioxyisoflavone | + | NAME 5,6,7,8-Tetramethoxy-3',4'-methylenedioxyisoflavone |
| − | CAS_RN 51986-38-0 | + | CAS_RN 51986-38-0 |
| − | FORMULA C20H18O8 | + | FORMULA C20H18O8 |
| − | EXACTMASS 386.100167552 | + | EXACTMASS 386.100167552 |
| − | AVERAGEMASS 386.35212 | + | AVERAGEMASS 386.35212 |
| − | SMILES O(C)c(c12)c(c(c(OC)c1C(C(c(c4)cc(O3)c(c4)OC3)=CO2)=O)OC)OC | + | SMILES O(C)c(c12)c(c(c(OC)c1C(C(c(c4)cc(O3)c(c4)OC3)=CO2)=O)OC)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 31 0 0 0 0 0 0 0 0999 V2000
-1.8834 0.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8834 0.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3271 -0.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7708 0.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7708 0.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3271 1.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2145 -0.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3418 0.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3418 0.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2145 1.2427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8979 -0.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8979 -0.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4927 -1.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0875 -0.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0875 -0.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4927 0.3015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2145 -0.6842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6355 -1.7439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3185 -1.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5979 -1.1883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5979 0.3706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5898 0.4976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3271 -1.0420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3271 -2.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0490 1.8157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6124 2.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2406 1.5402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7406 2.4062 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
13 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 14 1 0 0 0 0
2 21 1 0 0 0 0
21 22 1 0 0 0 0
3 23 1 0 0 0 0
23 24 1 0 0 0 0
6 25 1 0 0 0 0
25 26 1 0 0 0 0
1 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 27 28
M SBL 4 1 30
M SMT 4 OCH3
M SVB 4 30 -2.2406 1.5402
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 25 26
M SBL 3 1 28
M SMT 3 OCH3
M SVB 3 28 -1.049 1.8157
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 26
M SMT 2 OCH3
M SVB 2 26 -1.7635 -0.2026
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 24
M SMT 1 OCH3
M SVB 1 24 -2.5979 0.3706
S SKP 8
ID FLIAGCNS0001
KNApSAcK_ID C00009491
NAME 5,6,7,8-Tetramethoxy-3',4'-methylenedioxyisoflavone
CAS_RN 51986-38-0
FORMULA C20H18O8
EXACTMASS 386.100167552
AVERAGEMASS 386.35212
SMILES O(C)c(c12)c(c(c(OC)c1C(C(c(c4)cc(O3)c(c4)OC3)=CO2)=O)OC)OC
M END
