Mol:FL1BAJNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 26 0 0 0 0 0 0 0 0999 V2000 | + | 24 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1444 -1.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1444 -1.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1444 -1.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1444 -1.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4299 -2.2623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4299 -2.2623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4299 -0.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4299 -0.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7155 -1.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7155 -1.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7155 -1.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7155 -1.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0012 -0.6108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0012 -0.6108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7151 -1.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7151 -1.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7142 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7142 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2976 -2.4334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2976 -2.4334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4296 -0.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4296 -0.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4296 0.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4296 0.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1446 0.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1446 0.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1444 1.4490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1444 1.4490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4297 1.8611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4297 1.8611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7156 1.4485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7156 1.4485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7157 0.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7157 0.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8589 -0.6123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8589 -0.6123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8589 1.8615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8589 1.8615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4299 -3.0873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4299 -3.0873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4297 2.6861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4297 2.6861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0012 1.8623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0012 1.8623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3794 -1.4095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3794 -1.4095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7349 3.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7349 3.0873 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 5 2 0 0 0 0 | + | 3 5 2 0 0 0 0 |
| − | 6 4 2 0 0 0 0 | + | 6 4 2 0 0 0 0 |
| − | 4 1 1 0 0 0 0 | + | 4 1 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 5 9 1 0 0 0 0 | + | 5 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 16 22 1 0 0 0 0 | + | 16 22 1 0 0 0 0 |
| − | 8 23 1 0 0 0 0 | + | 8 23 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1BAJNS0001 | + | ID FL1BAJNS0001 |
| − | KNApSAcK_ID C00014660 | + | KNApSAcK_ID C00014660 |
| − | NAME Amaronol B;(-)-2-[(3,5-Dihydroxy-4-methoxyphenyl)methyl]-2,4,6-trihydroxy-3(2H)-benzofuranone | + | NAME Amaronol B;(-)-2-[(3,5-Dihydroxy-4-methoxyphenyl)methyl]-2,4,6-trihydroxy-3(2H)-benzofuranone |
| − | CAS_RN 226561-02-0 | + | CAS_RN 226561-02-0 |
| − | FORMULA C16H14O8 | + | FORMULA C16H14O8 |
| − | EXACTMASS 334.068867424 | + | EXACTMASS 334.068867424 |
| − | AVERAGEMASS 334.27756 | + | AVERAGEMASS 334.27756 |
| − | SMILES COc(c(O)3)c(O)cc(c3)CC(O)(O1)C(=O)c(c(O)2)c(cc(O)c2)1 | + | SMILES COc(c(O)3)c(O)cc(c3)CC(O)(O1)C(=O)c(c(O)2)c(cc(O)c2)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/
24 26 0 0 0 0 0 0 0 0999 V2000
-2.1444 -1.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1444 -1.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4299 -2.2623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4299 -0.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7155 -1.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7155 -1.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0012 -0.6108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7151 -1.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7142 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2976 -2.4334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4296 -0.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4296 0.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1446 0.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1444 1.4490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4297 1.8611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7156 1.4485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7157 0.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8589 -0.6123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8589 1.8615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4299 -3.0873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4297 2.6861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0012 1.8623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3794 -1.4095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7349 3.0873 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 5 2 0 0 0 0
6 4 2 0 0 0 0
4 1 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
5 9 1 0 0 0 0
9 10 2 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 17 2 0 0 0 0
17 12 1 0 0 0 0
1 18 1 0 0 0 0
14 19 1 0 0 0 0
3 20 1 0 0 0 0
15 21 1 0 0 0 0
16 22 1 0 0 0 0
8 23 1 0 0 0 0
21 24 1 0 0 0 0
S SKP 8
ID FL1BAJNS0001
KNApSAcK_ID C00014660
NAME Amaronol B;(-)-2-[(3,5-Dihydroxy-4-methoxyphenyl)methyl]-2,4,6-trihydroxy-3(2H)-benzofuranone
CAS_RN 226561-02-0
FORMULA C16H14O8
EXACTMASS 334.068867424
AVERAGEMASS 334.27756
SMILES COc(c(O)3)c(O)cc(c3)CC(O)(O1)C(=O)c(c(O)2)c(cc(O)c2)1
M END
