Mol:FL2F1ANS0003
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 |
| − | -2.1953 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1953 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6745 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6745 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1536 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1536 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1536 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1536 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6745 0.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6745 0.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1953 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1953 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6327 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6327 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1118 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1118 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1118 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1118 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6327 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6327 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4086 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4086 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6327 -1.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6327 -1.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9429 0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9429 0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4773 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4773 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4773 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4773 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9429 1.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9429 1.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4086 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4086 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7162 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7162 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0017 1.3203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0017 1.3203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7162 0.9078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7162 0.9078 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 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 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 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 19 20 | + | M SAL 1 2 19 20 |
| − | M SBL 1 1 21 | + | M SBL 1 1 21 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 21 -7.4062 5.5566 | + | M SBV 1 21 -7.4062 5.5566 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2F1ANS0003 | + | ID FL2F1ANS0003 |
| − | KNApSAcK_ID C00008429 | + | KNApSAcK_ID C00008429 |
| − | NAME 4'-Methylliquiritigenin | + | NAME 4'-Methylliquiritigenin |
| − | CAS_RN 116384-18-0 | + | CAS_RN 116384-18-0 |
| − | FORMULA C16H14O4 | + | FORMULA C16H14O4 |
| − | EXACTMASS 270.089208936 | + | EXACTMASS 270.089208936 |
| − | AVERAGEMASS 270.27996 | + | AVERAGEMASS 270.27996 |
| − | SMILES COc(c3)ccc(c3)C(C1)Oc(c2)c(ccc(O)2)C(=O)1 | + | SMILES COc(c3)ccc(c3)C(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
-2.1953 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6745 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1536 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1536 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6745 0.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1953 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6327 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1118 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1118 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6327 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4086 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6327 -1.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9429 0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4773 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4773 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9429 1.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4086 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7162 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0017 1.3203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7162 0.9078 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 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
3 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 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 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 11 1 0 0 0 0
6 18 1 0 0 0 0
15 19 1 0 0 0 0
19 20 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 21
M SMT 1 OCH3
M SBV 1 21 -7.4062 5.5566
S SKP 8
ID FL2F1ANS0003
KNApSAcK_ID C00008429
NAME 4'-Methylliquiritigenin
CAS_RN 116384-18-0
FORMULA C16H14O4
EXACTMASS 270.089208936
AVERAGEMASS 270.27996
SMILES COc(c3)ccc(c3)C(C1)Oc(c2)c(ccc(O)2)C(=O)1
M END
