Mol:FLIA1CNI0003
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.2122 0.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2122 0.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2122 -0.1658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2122 -0.1658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6559 -0.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6559 -0.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0996 -0.1658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0996 -0.1658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0996 0.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0996 0.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6559 0.7978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6559 0.7978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4567 -0.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4567 -0.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0130 -0.1658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0130 -0.1658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0130 0.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0130 0.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4567 0.7978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4567 0.7978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5691 -0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5691 -0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5691 -1.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5691 -1.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1639 -1.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1639 -1.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7587 -1.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7587 -1.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7587 -0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7587 -0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1639 -0.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1639 -0.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7683 0.7977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7683 0.7977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4567 -1.1323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4567 -1.1323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3443 1.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3443 1.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9195 0.7982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9195 0.7982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4934 1.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4934 1.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4933 1.7924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4933 1.7924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0674 0.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0674 0.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3529 -0.1438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3529 -0.1438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0674 -0.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0674 -0.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6247 -1.6736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6247 -1.6736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4908 -2.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4908 -2.1736 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 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 7 18 2 0 0 0 0 | + | 7 18 2 0 0 0 0 |
| − | 17 19 1 0 0 0 0 | + | 17 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 15 24 1 0 0 0 0 | + | 15 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 14 26 1 0 0 0 0 | + | 14 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 26 27 | + | M SAL 2 2 26 27 |
| − | M SBL 2 1 28 | + | M SBL 2 1 28 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 28 2.9957 -1.3799 | + | M SVB 2 28 2.9957 -1.3799 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 24 25 | + | M SAL 1 2 24 25 |
| − | M SBL 1 1 26 | + | M SBL 1 1 26 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 26 3.3529 -0.1438 | + | M SVB 1 26 3.3529 -0.1438 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIA1CNI0003 | + | ID FLIA1CNI0003 |
| − | KNApSAcK_ID C00009812 | + | KNApSAcK_ID C00009812 |
| − | NAME 7-Prenyloxy-3',4'-dimethoxyisoflavone | + | NAME 7-Prenyloxy-3',4'-dimethoxyisoflavone |
| − | CAS_RN 82345-39-9 | + | CAS_RN 82345-39-9 |
| − | FORMULA C22H22O5 | + | FORMULA C22H22O5 |
| − | EXACTMASS 366.146723814 | + | EXACTMASS 366.146723814 |
| − | AVERAGEMASS 366.40708000000006 | + | AVERAGEMASS 366.40708000000006 |
| − | SMILES c(c3)c(cc(c3OC)OC)C(C2=O)=COc(c12)cc(cc1)OCC=C(C)C | + | SMILES c(c3)c(cc(c3OC)OC)C(C2=O)=COc(c12)cc(cc1)OCC=C(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-1.2122 0.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2122 -0.1658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6559 -0.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0996 -0.1658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0996 0.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6559 0.7978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4567 -0.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0130 -0.1658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0130 0.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4567 0.7978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5691 -0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5691 -1.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1639 -1.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7587 -1.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7587 -0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1639 -0.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7683 0.7977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4567 -1.1323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3443 1.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9195 0.7982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4934 1.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4933 1.7924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0674 0.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3529 -0.1438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0674 -0.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6247 -1.6736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4908 -2.1736 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
1 17 1 0 0 0 0
7 18 2 0 0 0 0
17 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
15 24 1 0 0 0 0
24 25 1 0 0 0 0
14 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 26 27
M SBL 2 1 28
M SMT 2 OCH3
M SVB 2 28 2.9957 -1.3799
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 26
M SMT 1 OCH3
M SVB 1 26 3.3529 -0.1438
S SKP 8
ID FLIA1CNI0003
KNApSAcK_ID C00009812
NAME 7-Prenyloxy-3',4'-dimethoxyisoflavone
CAS_RN 82345-39-9
FORMULA C22H22O5
EXACTMASS 366.146723814
AVERAGEMASS 366.40708000000006
SMILES c(c3)c(cc(c3OC)OC)C(C2=O)=COc(c12)cc(cc1)OCC=C(C)C
M END
