Mol:FL2F1ANS0001
From Metabolomics.JP
(Difference between revisions)
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| − | 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 |
| − | -1.7719 0.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7719 0.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7719 -0.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7719 -0.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2714 -0.8069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2714 -0.8069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7710 -0.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7710 -0.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7710 0.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7710 0.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2714 0.3488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2714 0.3488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2705 -0.8069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2705 -0.8069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2299 -0.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2299 -0.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2299 0.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2299 0.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2705 0.3488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2705 0.3488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7301 0.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7301 0.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2444 0.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2444 0.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7588 0.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7588 0.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7588 0.9426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7588 0.9426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2444 1.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2444 1.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7301 0.9426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7301 0.9426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2299 0.7405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2299 0.7405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2720 0.3486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2720 0.3486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2720 1.2389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2720 1.2389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2705 -1.2395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2705 -1.2395 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 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 9 17 1 1 0 0 0 | + | 9 17 1 1 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 |
| − | 7 20 2 0 0 0 0 | + | 7 20 2 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2F1ANS0001 | + | ID FL2F1ANS0001 |
| − | KNApSAcK_ID C00000977 | + | KNApSAcK_ID C00000977 |
| − | NAME Liquiritigenin | + | NAME Liquiritigenin |
| − | CAS_RN 578-86-9 | + | CAS_RN 578-86-9 |
| − | FORMULA C15H12O4 | + | FORMULA C15H12O4 |
| − | EXACTMASS 256.073558872 | + | EXACTMASS 256.073558872 |
| − | AVERAGEMASS 256.25338 | + | AVERAGEMASS 256.25338 |
| − | SMILES Oc(c3)ccc(c3)C([H])(C1)Oc(c2)c(ccc(O)2)C(=O)1 | + | SMILES Oc(c3)ccc(c3)C([H])(C1)Oc(c2)c(ccc(O)2)C(=O)1 |
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
-1.7719 0.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7719 -0.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2714 -0.8069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7710 -0.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7710 0.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2714 0.3488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2705 -0.8069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2299 -0.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2299 0.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2705 0.3488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7301 0.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2444 0.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7588 0.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7588 0.9426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2444 1.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7301 0.9426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2299 0.7405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2720 0.3486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2720 1.2389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2705 -1.2395 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
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 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 11 1 0 0 0 0
9 17 1 1 0 0 0
1 18 1 0 0 0 0
14 19 1 0 0 0 0
7 20 2 0 0 0 0
S SKP 8
ID FL2F1ANS0001
KNApSAcK_ID C00000977
NAME Liquiritigenin
CAS_RN 578-86-9
FORMULA C15H12O4
EXACTMASS 256.073558872
AVERAGEMASS 256.25338
SMILES Oc(c3)ccc(c3)C([H])(C1)Oc(c2)c(ccc(O)2)C(=O)1
M END
