Mol:FL2F9ANS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 21 23 0 0 0 0 0 0 0 0999 V2000 | + | 21 23 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2601 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2601 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7392 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7392 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2184 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2184 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2184 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2184 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7392 0.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7392 0.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2601 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2601 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7392 -1.3075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7392 -1.3075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6975 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6975 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1766 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1766 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1766 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1766 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6975 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6975 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3438 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3438 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6975 -1.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6975 -1.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8781 0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8781 0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4125 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4125 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4125 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4125 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8781 1.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8781 1.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3438 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3438 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6604 -0.7325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6604 -0.7325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9460 1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9460 1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6604 0.9130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6604 0.9130 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 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 3 8 1 0 0 0 0 | + | 3 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 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 4 1 0 0 0 0 | + | 11 4 1 0 0 0 0 |
| − | 10 12 1 0 0 0 0 | + | 10 12 1 0 0 0 0 |
| − | 8 13 2 0 0 0 0 | + | 8 13 2 0 0 0 0 |
| − | 12 14 2 0 0 0 0 | + | 12 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 12 1 0 0 0 0 | + | 18 12 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 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 20 21 | + | M SAL 1 2 20 21 |
| − | M SBL 1 1 22 | + | M SBL 1 1 22 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 22 -4.7189 7.5830 | + | M SBV 1 22 -4.7189 7.5830 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2F9ANS0001 | + | ID FL2F9ANS0001 |
| − | KNApSAcK_ID C00008391 | + | KNApSAcK_ID C00008391 |
| − | NAME 5,6-Dihydroxy-4'-methoxyflavanone | + | NAME 5,6-Dihydroxy-4'-methoxyflavanone |
| − | CAS_RN 123067-26-5 | + | CAS_RN 123067-26-5 |
| − | FORMULA C16H14O5 | + | FORMULA C16H14O5 |
| − | EXACTMASS 286.084123558 | + | EXACTMASS 286.084123558 |
| − | AVERAGEMASS 286.27936 | + | AVERAGEMASS 286.27936 |
| − | SMILES COc(c3)ccc(c3)C(C2)Oc(c1)c(C(=O)2)c(O)c(O)c1 | + | SMILES COc(c3)ccc(c3)C(C2)Oc(c1)c(C(=O)2)c(O)c(O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-2.2601 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7392 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2184 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2184 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7392 0.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2601 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7392 -1.3075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6975 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1766 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1766 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6975 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3438 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6975 -1.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8781 0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4125 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4125 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8781 1.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3438 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6604 -0.7325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9460 1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6604 0.9130 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
2 7 1 0 0 0 0
3 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 4 1 0 0 0 0
10 12 1 0 0 0 0
8 13 2 0 0 0 0
12 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 12 1 0 0 0 0
1 19 1 0 0 0 0
16 20 1 0 0 0 0
20 21 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SBV 1 22 -4.7189 7.5830
S SKP 8
ID FL2F9ANS0001
KNApSAcK_ID C00008391
NAME 5,6-Dihydroxy-4'-methoxyflavanone
CAS_RN 123067-26-5
FORMULA C16H14O5
EXACTMASS 286.084123558
AVERAGEMASS 286.27936
SMILES COc(c3)ccc(c3)C(C2)Oc(c1)c(C(=O)2)c(O)c(O)c1
M END
