Mol:FL4DALNP0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 31 0 0 0 0 0 0 0 0999 V2000 | + | 28 31 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9530 -1.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9530 -1.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3331 -1.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3331 -1.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3331 -0.5514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3331 -0.5514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9530 -0.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9530 -0.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5729 -0.5514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5729 -0.5514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5729 -1.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5729 -1.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6762 -1.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6762 -1.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0193 -1.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0193 -1.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0193 -0.5087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0193 -0.5087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6762 -0.1295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6762 -0.1295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5550 -0.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5550 -0.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1897 -0.5726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1897 -0.5726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8245 -0.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8245 -0.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8245 0.5268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8245 0.5268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1897 0.8932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1897 0.8932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5550 0.5268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5550 0.5268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4592 0.8932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4592 0.8932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4592 1.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4592 1.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8245 1.9926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8245 1.9926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1897 1.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1897 1.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6181 2.2192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6181 2.2192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0322 1.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0322 1.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0322 -0.2862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0322 -0.2862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9530 -2.1048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9530 -2.1048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6762 -2.2192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6762 -2.2192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6537 -1.6558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6537 -1.6558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1978 1.1455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1978 1.1455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9123 0.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9123 0.7330 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 |
| − | 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 3 1 0 0 0 0 | + | 10 3 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 11 1 1 0 0 0 | + | 9 11 1 1 0 0 0 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 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 |
| − | 18 21 1 0 0 0 0 | + | 18 21 1 0 0 0 0 |
| − | 18 22 1 0 0 0 0 | + | 18 22 1 0 0 0 0 |
| − | 5 23 1 0 0 0 0 | + | 5 23 1 0 0 0 0 |
| − | 1 24 1 0 0 0 0 | + | 1 24 1 0 0 0 0 |
| − | 7 25 2 0 0 0 0 | + | 7 25 2 0 0 0 0 |
| − | 8 26 1 6 0 0 0 | + | 8 26 1 6 0 0 0 |
| − | 16 27 1 0 0 0 0 | + | 16 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 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 27 28 | + | M SAL 1 2 27 28 |
| − | M SBL 1 1 30 | + | M SBL 1 1 30 |
| − | M SMT 1 ^OCH3 | + | M SMT 1 ^OCH3 |
| − | M SBV 1 30 -5.7835 5.4781 | + | M SBV 1 30 -5.7835 5.4781 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DALNP0001 | + | ID FL4DALNP0001 |
| − | KNApSAcK_ID C00008635 | + | KNApSAcK_ID C00008635 |
| − | NAME (2S,3S)-3,5,7-Trihydroxy-2'-methoxy-6'',6''-dimethylpyrano[2'',3'':4',3']flavanone | + | NAME (2S,3S)-3,5,7-Trihydroxy-2'-methoxy-6'',6''-dimethylpyrano[2'',3'':4',3']flavanone |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C21H20O7 | + | FORMULA C21H20O7 |
| − | EXACTMASS 384.120902994 | + | EXACTMASS 384.120902994 |
| − | AVERAGEMASS 384.37929999999994 | + | AVERAGEMASS 384.37929999999994 |
| − | SMILES O(c43)C(C(C(=O)c3c(cc(O)c4)O)O)c(c2)c(c(c(c2)1)C=CC(C)(C)O1)OC | + | SMILES O(c43)C(C(C(=O)c3c(cc(O)c4)O)O)c(c2)c(c(c(c2)1)C=CC(C)(C)O1)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 31 0 0 0 0 0 0 0 0999 V2000
-1.9530 -1.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3331 -1.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3331 -0.5514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9530 -0.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5729 -0.5514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5729 -1.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6762 -1.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0193 -1.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0193 -0.5087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6762 -0.1295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5550 -0.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1897 -0.5726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8245 -0.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8245 0.5268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1897 0.8932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5550 0.5268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4592 0.8932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4592 1.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8245 1.9926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1897 1.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6181 2.2192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0322 1.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0322 -0.2862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9530 -2.1048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6762 -2.2192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6537 -1.6558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1978 1.1455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9123 0.7330 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
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 3 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 11 1 1 0 0 0
14 17 1 0 0 0 0
17 18 1 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
18 21 1 0 0 0 0
18 22 1 0 0 0 0
5 23 1 0 0 0 0
1 24 1 0 0 0 0
7 25 2 0 0 0 0
8 26 1 6 0 0 0
16 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 27 28
M SBL 1 1 30
M SMT 1 ^OCH3
M SBV 1 30 -5.7835 5.4781
S SKP 8
ID FL4DALNP0001
KNApSAcK_ID C00008635
NAME (2S,3S)-3,5,7-Trihydroxy-2'-methoxy-6'',6''-dimethylpyrano[2'',3'':4',3']flavanone
CAS_RN -
FORMULA C21H20O7
EXACTMASS 384.120902994
AVERAGEMASS 384.37929999999994
SMILES O(c43)C(C(C(=O)c3c(cc(O)c4)O)O)c(c2)c(c(c(c2)1)C=CC(C)(C)O1)OC
M END
