Mol:FLII1CNS0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 24 0 0 0 0 0 0 0 0999 V2000 | + | 22 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2556 0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2556 0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2556 0.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2556 0.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6993 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6993 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1430 0.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1430 0.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1430 0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1430 0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6993 1.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6993 1.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5867 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5867 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0304 0.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0304 0.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5257 -0.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5257 -0.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5849 -0.8147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5849 -0.8147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5257 -0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5257 -0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1025 -1.1477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1025 -1.1477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6792 -0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6792 -0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6792 -0.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6792 -0.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1025 0.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1025 0.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2556 0.1840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2556 0.1840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5869 1.1358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5869 1.1358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1276 0.7233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1276 0.7233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5452 -1.3147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5452 -1.3147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4112 -1.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4112 -1.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6128 1.4334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6128 1.4334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1128 2.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1128 2.2994 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 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 7 10 1 0 0 0 0 | + | 7 10 1 0 0 0 0 |
| − | 9 11 2 0 0 0 0 | + | 9 11 2 0 0 0 0 |
| − | 11 10 1 0 0 0 0 | + | 11 10 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 9 1 0 0 0 0 | + | 15 9 1 0 0 0 0 |
| − | 14 16 1 0 0 0 0 | + | 14 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 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 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 21 22 | + | M SAL 3 2 21 22 |
| − | M SBL 3 1 23 | + | M SBL 3 1 23 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 23 -2.6128 1.4334 | + | M SVB 3 23 -2.6128 1.4334 |
| − | 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 1.8983 -1.0209 | + | M SVB 2 21 1.8983 -1.0209 |
| − | 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 -0.5869 1.1358 | + | M SVB 1 19 -0.5869 1.1358 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLII1CNS0005 | + | ID FLII1CNS0005 |
| − | KNApSAcK_ID C00010075 | + | KNApSAcK_ID C00010075 |
| − | NAME Methylsainfuran;2-(2',4'-Dimethoxyphenyl)-5-hydroxy-6-methoxybenzofuran | + | NAME Methylsainfuran;2-(2',4'-Dimethoxyphenyl)-5-hydroxy-6-methoxybenzofuran |
| − | CAS_RN 94190-37-1 | + | CAS_RN 94190-37-1 |
| − | FORMULA C17H16O5 | + | FORMULA C17H16O5 |
| − | EXACTMASS 300.099773622 | + | EXACTMASS 300.099773622 |
| − | AVERAGEMASS 300.30593999999996 | + | AVERAGEMASS 300.30593999999996 |
| − | SMILES COc(c3)cc(OC)c(c3)c(c1)oc(c2)c(cc(O)c(OC)2)1 | + | SMILES COc(c3)cc(OC)c(c3)c(c1)oc(c2)c(cc(O)c(OC)2)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-2.2556 0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2556 0.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6993 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1430 0.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1430 0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6993 1.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5867 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0304 0.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5257 -0.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5849 -0.8147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5257 -0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1025 -1.1477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6792 -0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6792 -0.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1025 0.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2556 0.1840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5869 1.1358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1276 0.7233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5452 -1.3147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4112 -1.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6128 1.4334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1128 2.2994 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 2 0 0 0 0
8 9 1 0 0 0 0
7 10 1 0 0 0 0
9 11 2 0 0 0 0
11 10 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 9 1 0 0 0 0
14 16 1 0 0 0 0
5 17 1 0 0 0 0
17 18 1 0 0 0 0
13 19 1 0 0 0 0
19 20 1 0 0 0 0
1 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 21 22
M SBL 3 1 23
M SMT 3 OCH3
M SVB 3 23 -2.6128 1.4334
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 1.8983 -1.0209
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 -0.5869 1.1358
S SKP 8
ID FLII1CNS0005
KNApSAcK_ID C00010075
NAME Methylsainfuran;2-(2',4'-Dimethoxyphenyl)-5-hydroxy-6-methoxybenzofuran
CAS_RN 94190-37-1
FORMULA C17H16O5
EXACTMASS 300.099773622
AVERAGEMASS 300.30593999999996
SMILES COc(c3)cc(OC)c(c3)c(c1)oc(c2)c(cc(O)c(OC)2)1
M END
