Mol:FLIAEGNS0003
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 |
| − | -2.1455 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1455 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1455 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1455 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5892 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5892 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0329 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0329 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0329 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0329 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5892 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5892 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4766 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4766 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0797 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0797 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0797 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0797 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4766 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4766 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6358 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6358 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6358 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6358 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2306 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2306 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8253 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8253 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8253 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8253 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2306 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2306 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4766 -0.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4766 -0.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7564 1.3267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7564 1.3267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1340 0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1340 0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7564 0.2874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7564 0.2874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4196 0.5079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4196 0.5079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1340 0.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1340 0.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0256 0.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0256 0.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3112 -0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3112 -0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8132 -1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8132 -1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5277 -1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5277 -1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6913 -1.0220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6913 -1.0220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5573 -1.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5573 -1.5221 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 |
| − | 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 2 1 0 0 0 0 | + | 20 2 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 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 |
| − | 13 25 1 0 0 0 0 | + | 13 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 14 27 1 0 0 0 0 | + | 14 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 2.0623 -0.7282 | + | M SVB 4 30 2.0623 -0.7282 |
| − | 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 0.8132 -1.0369 | + | M SVB 3 28 0.8132 -1.0369 |
| − | 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 -2.0256 0.0042 | + | M SVB 2 26 -2.0256 0.0042 |
| − | 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 2.4196 0.5079 | + | M SVB 1 24 2.4196 0.5079 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAEGNS0003 | + | ID FLIAEGNS0003 |
| − | KNApSAcK_ID C00009490 | + | KNApSAcK_ID C00009490 |
| − | NAME Irisflorentin;5,3',4',5'-Tetramethoxy-6,7-methylenedioxyisoflavone | + | NAME Irisflorentin;5,3',4',5'-Tetramethoxy-6,7-methylenedioxyisoflavone |
| − | CAS_RN 41743-73-1 | + | CAS_RN 41743-73-1 |
| − | FORMULA C20H18O8 | + | FORMULA C20H18O8 |
| − | EXACTMASS 386.100167552 | + | EXACTMASS 386.100167552 |
| − | AVERAGEMASS 386.35212 | + | AVERAGEMASS 386.35212 |
| − | SMILES COc(c4OC)c(cc(c4)C(=C3)C(c(c(O3)1)c(OC)c(O2)c(OC2)c1)=O)OC | + | SMILES COc(c4OC)c(cc(c4)C(=C3)C(c(c(O3)1)c(OC)c(O2)c(OC2)c1)=O)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
-2.1455 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1455 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5892 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0329 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0329 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5892 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4766 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0797 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0797 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4766 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6358 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6358 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2306 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8253 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8253 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2306 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4766 -0.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7564 1.3267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1340 0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7564 0.2874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4196 0.5079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1340 0.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0256 0.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3112 -0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8132 -1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5277 -1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6913 -1.0220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5573 -1.5221 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
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 2 1 0 0 0 0
15 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
13 25 1 0 0 0 0
25 26 1 0 0 0 0
14 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 2.0623 -0.7282
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 0.8132 -1.0369
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 -2.0256 0.0042
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 2.4196 0.5079
S SKP 8
ID FLIAEGNS0003
KNApSAcK_ID C00009490
NAME Irisflorentin;5,3',4',5'-Tetramethoxy-6,7-methylenedioxyisoflavone
CAS_RN 41743-73-1
FORMULA C20H18O8
EXACTMASS 386.100167552
AVERAGEMASS 386.35212
SMILES COc(c4OC)c(cc(c4)C(=C3)C(c(c(O3)1)c(OC)c(O2)c(OC2)c1)=O)OC
M END
