Mol:FLIC1LNP0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 28 0 0 0 0 0 0 0 0999 V2000 | + | 25 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.3538 0.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3538 0.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3538 -0.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3538 -0.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8880 -0.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8880 -0.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4222 -0.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4222 -0.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4222 0.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4222 0.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8880 0.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8880 0.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0436 -0.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0436 -0.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5094 -0.3749 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.5094 -0.3749 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 0.5094 0.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5094 0.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0436 0.4318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0436 0.4318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9751 -0.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9751 -0.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4409 -0.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4409 -0.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9751 -1.1817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9751 -1.1817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4409 -1.4506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4409 -1.4506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9067 -1.1817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9067 -1.1817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9067 -0.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9067 -0.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3723 -1.4505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3723 -1.4505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3754 -0.8749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3754 -0.8749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8880 0.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8880 0.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3340 1.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3340 1.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7799 0.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7799 0.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7799 0.4318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7799 0.4318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0708 1.4506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0708 1.4506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3723 0.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3723 0.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1091 -1.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1091 -1.6817 0.0000 O 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 |
| − | 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 1 0 0 0 0 | + | 8 9 1 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 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 11 13 1 0 0 0 0 | + | 11 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 12 1 0 0 0 0 | + | 16 12 1 0 0 0 0 |
| − | 15 17 1 0 0 0 0 | + | 15 17 1 0 0 0 0 |
| − | 8 18 1 6 0 0 0 | + | 8 18 1 6 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 1 1 0 0 0 0 | + | 22 1 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 13 25 1 0 0 0 0 | + | 13 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIC1LNP0001 | + | ID FLIC1LNP0001 |
| − | KNApSAcK_ID C00002529 | + | KNApSAcK_ID C00002529 |
| − | NAME Glabridin | + | NAME Glabridin |
| − | CAS_RN 59870-68-7 | + | CAS_RN 59870-68-7 |
| − | FORMULA C20H20O4 | + | FORMULA C20H20O4 |
| − | EXACTMASS 324.136159128 | + | EXACTMASS 324.136159128 |
| − | AVERAGEMASS 324.37039999999996 | + | AVERAGEMASS 324.37039999999996 |
| − | SMILES c(c(O)1)c(O)ccc1[C@@](C4)([H])Cc(c3)c(O4)c(c(c3)2)C=CC(C)(C)O2 | + | SMILES c(c(O)1)c(O)ccc1[C@@](C4)([H])Cc(c3)c(O4)c(c(c3)2)C=CC(C)(C)O2 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 28 0 0 0 0 0 0 0 0999 V2000
-1.3538 0.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3538 -0.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8880 -0.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4222 -0.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4222 0.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8880 0.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0436 -0.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5094 -0.3749 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.5094 0.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0436 0.4318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9751 -0.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4409 -0.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9751 -1.1817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4409 -1.4506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9067 -1.1817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9067 -0.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3723 -1.4505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3754 -0.8749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8880 0.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3340 1.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7799 0.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7799 0.4318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0708 1.4506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3723 0.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1091 -1.6817 0.0000 O 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
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 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 2 0 0 0 0
11 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 12 1 0 0 0 0
15 17 1 0 0 0 0
8 18 1 6 0 0 0
6 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 1 1 0 0 0 0
21 23 1 0 0 0 0
21 24 1 0 0 0 0
13 25 1 0 0 0 0
S SKP 8
ID FLIC1LNP0001
KNApSAcK_ID C00002529
NAME Glabridin
CAS_RN 59870-68-7
FORMULA C20H20O4
EXACTMASS 324.136159128
AVERAGEMASS 324.37039999999996
SMILES c(c(O)1)c(O)ccc1[C@@](C4)([H])Cc(c3)c(O4)c(c(c3)2)C=CC(C)(C)O2
M END
