Mol:FL4DECNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7675 -0.5120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7675 -0.5120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2466 -0.8127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2466 -0.8127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7257 -0.5120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7257 -0.5120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7257 0.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7257 0.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2466 0.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2466 0.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7675 0.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7675 0.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2048 -0.8127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2048 -0.8127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3161 -0.5120 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.3161 -0.5120 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.3161 0.0895 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 0.3161 0.0895 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -0.2048 0.3902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2048 0.3902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2048 -1.3366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2048 -1.3366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2466 -1.4136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2466 -1.4136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2742 0.3820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2742 0.3820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7591 -0.9550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7591 -0.9550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8958 0.3889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8958 0.3889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4245 0.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4245 0.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9532 0.3889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9532 0.3889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9532 0.9994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9532 0.9994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4245 1.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4245 1.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8958 0.9994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8958 0.9994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2239 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2239 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2239 -1.9152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2239 -1.9152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7680 -1.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7680 -1.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4819 1.3047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4819 1.3047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4245 1.9152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4245 1.9152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4819 -0.3460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4819 -0.3460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4560 -0.1197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4560 -0.1197 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 2 12 1 0 0 0 0 | + | 2 12 1 0 0 0 0 |
| − | 6 13 1 0 0 0 0 | + | 6 13 1 0 0 0 0 |
| − | 8 14 1 0 0 0 0 | + | 8 14 1 0 0 0 0 |
| − | 9 15 1 6 0 0 0 | + | 9 15 1 6 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 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 18 24 1 0 0 0 0 | + | 18 24 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 1 26 1 0 0 0 0 | + | 1 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 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 26 27 | + | M SAL 1 2 26 27 |
| − | M SBL 1 1 28 | + | M SBL 1 1 28 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 28 -2.4819 -0.346 | + | M SVB 1 28 -2.4819 -0.346 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DECNS0001 | + | ID FL4DECNS0001 |
| − | KNApSAcK_ID C00008746 | + | KNApSAcK_ID C00008746 |
| − | NAME 3,5,7,3',4'-Pentahydroxy-6-methoxyflavanone 3-acetate | + | NAME 3,5,7,3',4'-Pentahydroxy-6-methoxyflavanone 3-acetate |
| − | CAS_RN 130926-70-4 | + | CAS_RN 130926-70-4 |
| − | FORMULA C18H16O9 | + | FORMULA C18H16O9 |
| − | EXACTMASS 376.07943210999997 | + | EXACTMASS 376.07943210999997 |
| − | AVERAGEMASS 376.31424 | + | AVERAGEMASS 376.31424 |
| − | SMILES c(c3OC)(O)cc(O1)c(c3O)C(C([C@H]1c(c2)cc(O)c(O)c2)OC(C)=O)=O | + | SMILES c(c3OC)(O)cc(O1)c(c3O)C(C([C@H]1c(c2)cc(O)c(O)c2)OC(C)=O)=O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-1.7675 -0.5120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2466 -0.8127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7257 -0.5120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7257 0.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2466 0.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7675 0.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2048 -0.8127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3161 -0.5120 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.3161 0.0895 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.2048 0.3902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2048 -1.3366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2466 -1.4136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2742 0.3820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7591 -0.9550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8958 0.3889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4245 0.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9532 0.3889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9532 0.9994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4245 1.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8958 0.9994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2239 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2239 -1.9152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7680 -1.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4819 1.3047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4245 1.9152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4819 -0.3460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4560 -0.1197 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
7 11 2 0 0 0 0
2 12 1 0 0 0 0
6 13 1 0 0 0 0
8 14 1 0 0 0 0
9 15 1 6 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 19 1 0 0 0 0
19 20 2 0 0 0 0
20 15 1 0 0 0 0
14 21 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
18 24 1 0 0 0 0
19 25 1 0 0 0 0
1 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 28
M SMT 1 OCH3
M SVB 1 28 -2.4819 -0.346
S SKP 8
ID FL4DECNS0001
KNApSAcK_ID C00008746
NAME 3,5,7,3',4'-Pentahydroxy-6-methoxyflavanone 3-acetate
CAS_RN 130926-70-4
FORMULA C18H16O9
EXACTMASS 376.07943210999997
AVERAGEMASS 376.31424
SMILES c(c3OC)(O)cc(O1)c(c3O)C(C([C@H]1c(c2)cc(O)c(O)c2)OC(C)=O)=O
M END
