Mol:FLIAEGNS0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | 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 |
| − | -2.6928 1.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6928 1.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4213 0.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4213 0.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7814 0.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7814 0.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4129 1.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4129 1.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6844 1.5832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6844 1.5832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3243 1.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3243 1.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7730 0.9450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7730 0.9450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4046 1.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4046 1.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6761 2.0534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6761 2.0534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3160 2.1094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3160 2.1094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2351 1.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2351 1.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5254 0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5254 0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2096 0.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2096 0.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6034 1.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6034 1.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3132 1.9180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3132 1.9180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6290 1.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6290 1.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5016 0.3631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5016 0.3631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5100 -0.1071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5100 -0.1071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3324 1.1689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3324 1.1689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4996 0.1111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4996 0.1111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5996 1.2084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5996 1.2084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5958 1.1212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5958 1.1212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1351 0.4343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1351 0.4343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3381 0.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3381 0.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7067 2.4800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7067 2.4800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5286 2.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5286 2.4081 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 13 20 1 0 0 0 0 | + | 13 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 |
| − | 2 23 1 0 0 0 0 | + | 2 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 15 25 1 0 0 0 0 | + | 15 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 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 25 26 | + | M SAL 3 2 25 26 |
| − | M SBL 3 1 27 | + | M SBL 3 1 27 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 27 2.2825 0.5589 | + | M SVB 3 27 2.2825 0.5589 |
| − | 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 25 | + | M SBL 2 1 25 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 25 -2.997 0.6284 | + | M SVB 2 25 -2.997 0.6284 |
| − | 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 23 | + | M SBL 1 1 23 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 23 1.9253 -0.6772 | + | M SVB 1 23 1.9253 -0.6772 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAEGNS0001 | + | ID FLIAEGNS0001 |
| − | KNApSAcK_ID C00009485 | + | KNApSAcK_ID C00009485 |
| − | NAME Irigenin;5,7,3'-Trimethoxy-6,4',5'-trimethoxyisoflavone | + | NAME Irigenin;5,7,3'-Trimethoxy-6,4',5'-trimethoxyisoflavone |
| − | CAS_RN 548-76-5 | + | CAS_RN 548-76-5 |
| − | FORMULA C18H16O8 | + | FORMULA C18H16O8 |
| − | EXACTMASS 360.08451748799996 | + | EXACTMASS 360.08451748799996 |
| − | AVERAGEMASS 360.31484 | + | AVERAGEMASS 360.31484 |
| − | SMILES c(c3OC)(O)cc(c(c3O)1)OC=C(c(c2)cc(c(OC)c(O)2)OC)C1=O | + | SMILES c(c3OC)(O)cc(c(c3O)1)OC=C(c(c2)cc(c(OC)c(O)2)OC)C1=O |
M END | M END | ||
| − | |||
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
-2.6928 1.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4213 0.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7814 0.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4129 1.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6844 1.5832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3243 1.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7730 0.9450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4046 1.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6761 2.0534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3160 2.1094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2351 1.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5254 0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2096 0.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6034 1.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3132 1.9180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6290 1.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5016 0.3631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5100 -0.1071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3324 1.1689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4996 0.1111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5996 1.2084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5958 1.1212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1351 0.4343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3381 0.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7067 2.4800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5286 2.4081 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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
13 20 1 0 0 0 0
14 21 1 0 0 0 0
21 22 1 0 0 0 0
2 23 1 0 0 0 0
23 24 1 0 0 0 0
15 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 25 26
M SBL 3 1 27
M SMT 3 OCH3
M SVB 3 27 2.2825 0.5589
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 25
M SMT 2 OCH3
M SVB 2 25 -2.997 0.6284
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SVB 1 23 1.9253 -0.6772
S SKP 8
ID FLIAEGNS0001
KNApSAcK_ID C00009485
NAME Irigenin;5,7,3'-Trimethoxy-6,4',5'-trimethoxyisoflavone
CAS_RN 548-76-5
FORMULA C18H16O8
EXACTMASS 360.08451748799996
AVERAGEMASS 360.31484
SMILES c(c3OC)(O)cc(c(c3O)1)OC=C(c(c2)cc(c(OC)c(O)2)OC)C1=O
M END
