Mol:FLII1ANS0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 19 21 0 0 0 0 0 0 0 0999 V2000 | + | 19 21 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0769 0.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0769 0.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0769 0.0294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0769 0.0294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5206 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5206 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9643 0.0294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9643 0.0294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9643 0.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9643 0.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5206 0.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5206 0.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4080 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4080 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1483 0.0294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1483 0.0294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7044 -0.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7044 -0.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4063 -0.9576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4063 -0.9576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7044 -0.9576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7044 -0.9576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2811 -1.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2811 -1.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8578 -0.9576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8578 -0.9576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8578 -0.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8578 -0.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2811 0.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2811 0.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4342 -1.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4342 -1.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4082 0.9929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4082 0.9929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4342 1.2906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4342 1.2906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9342 2.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9342 2.1566 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 |
| − | 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 |
| − | 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 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 18 19 | + | M SAL 1 2 18 19 |
| − | M SBL 1 1 20 | + | M SBL 1 1 20 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 20 -2.4342 1.2906 | + | M SVB 1 20 -2.4342 1.2906 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLII1ANS0004 | + | ID FLII1ANS0004 |
| − | KNApSAcK_ID C00010073 | + | KNApSAcK_ID C00010073 |
| − | NAME Centrolobofuran;2-(2'-Hydroxy-4'-methoxyphenyl)benzofuran-6-ol | + | NAME Centrolobofuran;2-(2'-Hydroxy-4'-methoxyphenyl)benzofuran-6-ol |
| − | CAS_RN 67685-33-0 | + | CAS_RN 67685-33-0 |
| − | FORMULA C15H12O4 | + | FORMULA C15H12O4 |
| − | EXACTMASS 256.073558872 | + | EXACTMASS 256.073558872 |
| − | AVERAGEMASS 256.25338 | + | AVERAGEMASS 256.25338 |
| − | SMILES COc(c3)cc(O)c(c3)c(c1)oc(c2)c(ccc(O)2)1 | + | SMILES COc(c3)cc(O)c(c3)c(c1)oc(c2)c(ccc(O)2)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
19 21 0 0 0 0 0 0 0 0999 V2000
-2.0769 0.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0769 0.0294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5206 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9643 0.0294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9643 0.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5206 0.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4080 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1483 0.0294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7044 -0.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4063 -0.9576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7044 -0.9576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2811 -1.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8578 -0.9576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8578 -0.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2811 0.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4342 -1.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4082 0.9929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4342 1.2906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9342 2.1566 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
13 16 1 0 0 0 0
5 17 1 0 0 0 0
1 18 1 0 0 0 0
18 19 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 18 19
M SBL 1 1 20
M SMT 1 OCH3
M SVB 1 20 -2.4342 1.2906
S SKP 8
ID FLII1ANS0004
KNApSAcK_ID C00010073
NAME Centrolobofuran;2-(2'-Hydroxy-4'-methoxyphenyl)benzofuran-6-ol
CAS_RN 67685-33-0
FORMULA C15H12O4
EXACTMASS 256.073558872
AVERAGEMASS 256.25338
SMILES COc(c3)cc(O)c(c3)c(c1)oc(c2)c(ccc(O)2)1
M END
