Mol:FLII1ANS0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 20 22 0 0 0 0 0 0 0 0999 V2000 | + | 20 22 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.6104 -0.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6104 -0.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6104 -0.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6104 -0.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0570 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0570 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5035 -0.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5035 -0.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5035 -0.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5035 -0.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0570 -0.8688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0570 -0.8688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1200 -0.7703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1200 -0.7703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1830 -0.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1830 -0.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1200 0.0640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1200 0.0640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6973 -0.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6973 -0.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9510 -0.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9510 -0.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4583 -0.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4583 -0.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7120 -0.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7120 -0.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4583 0.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4583 0.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9510 0.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9510 0.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2180 -0.3532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2180 -0.3532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2180 -0.4563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2180 -0.4563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1954 -0.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1954 -0.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4527 0.7173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4527 0.7173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2746 0.6454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2746 0.6454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 1 7 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 9 2 1 0 0 0 0 |
| − | 8 10 1 0 0 0 0 | + | 8 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 13 16 1 0 0 0 0 | + | 13 16 1 0 0 0 0 |
| − | 5 17 1 0 0 0 0 | + | 5 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 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 19 20 | + | M SAL 2 2 19 20 |
| − | M SBL 2 1 21 | + | M SBL 2 1 21 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 21 0.7661 0.8688 | + | M SVB 2 21 0.7661 0.8688 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 17 18 | + | M SAL 1 2 17 18 |
| − | M SBL 1 1 19 | + | M SBL 1 1 19 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 19 -2.218 -0.4563 | + | M SVB 1 19 -2.218 -0.4563 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLII1ANS0001 | + | ID FLII1ANS0001 |
| − | KNApSAcK_ID C00002414 | + | KNApSAcK_ID C00002414 |
| − | NAME Vignafuran;2-(4-Hydroxy-2-methoxyphenyl)-6-methoxybenzofuran | + | NAME Vignafuran;2-(4-Hydroxy-2-methoxyphenyl)-6-methoxybenzofuran |
| − | CAS_RN 57800-41-6 | + | CAS_RN 57800-41-6 |
| − | FORMULA C16H14O4 | + | FORMULA C16H14O4 |
| − | EXACTMASS 270.089208936 | + | EXACTMASS 270.089208936 |
| − | AVERAGEMASS 270.27996 | + | AVERAGEMASS 270.27996 |
| − | SMILES COc(c3)cc(o1)c(c3)cc1c(c2)c(OC)cc(O)c2 | + | SMILES COc(c3)cc(o1)c(c3)cc1c(c2)c(OC)cc(O)c2 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
20 22 0 0 0 0 0 0 0 0999 V2000
-0.6104 -0.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6104 -0.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0570 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5035 -0.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5035 -0.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0570 -0.8688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1200 -0.7703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1830 -0.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1200 0.0640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6973 -0.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9510 -0.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4583 -0.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7120 -0.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4583 0.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9510 0.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2180 -0.3532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2180 -0.4563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1954 -0.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4527 0.7173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2746 0.6454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
1 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 2 1 0 0 0 0
8 10 1 0 0 0 0
10 11 2 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 10 1 0 0 0 0
13 16 1 0 0 0 0
5 17 1 0 0 0 0
17 18 1 0 0 0 0
15 19 1 0 0 0 0
19 20 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 19 20
M SBL 2 1 21
M SMT 2 OCH3
M SVB 2 21 0.7661 0.8688
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 17 18
M SBL 1 1 19
M SMT 1 OCH3
M SVB 1 19 -2.218 -0.4563
S SKP 8
ID FLII1ANS0001
KNApSAcK_ID C00002414
NAME Vignafuran;2-(4-Hydroxy-2-methoxyphenyl)-6-methoxybenzofuran
CAS_RN 57800-41-6
FORMULA C16H14O4
EXACTMASS 270.089208936
AVERAGEMASS 270.27996
SMILES COc(c3)cc(o1)c(c3)cc1c(c2)c(OC)cc(O)c2
M END
