Mol:FL4DA8NS0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 26 0 0 0 0 0 0 0 0999 V2000 | + | 24 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1030 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1030 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5822 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5822 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0613 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0613 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0613 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0613 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5822 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5822 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1030 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1030 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5404 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5404 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0195 -0.4629 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -0.0195 -0.4629 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -0.0195 0.1385 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -0.0195 0.1385 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -0.5404 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5404 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5009 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5009 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5404 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5404 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0352 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0352 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5696 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5696 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5696 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5696 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0352 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0352 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5009 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5009 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4119 -0.8943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4119 -0.8943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5822 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5822 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0326 1.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0326 1.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4356 -0.0610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4356 -0.0610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3017 -0.5610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3017 -0.5610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4603 0.7573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4603 0.7573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9603 1.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9603 1.6233 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 6 0 0 0 | + | 9 11 1 6 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 |
| − | 8 18 1 1 0 0 0 | + | 8 18 1 1 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 17 20 1 0 0 0 0 | + | 17 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 6 23 1 0 0 0 0 | + | 6 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 23 24 | + | M SAL 2 2 23 24 |
| − | M SBL 2 1 25 | + | M SBL 2 1 25 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 25 -2.4603 0.7573 | + | M SVB 2 25 -2.4603 0.7573 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 23 | + | M SBL 1 1 23 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 23 1.7458 0.2327 | + | M SVB 1 23 1.7458 0.2327 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DA8NS0004 | + | ID FL4DA8NS0004 |
| − | KNApSAcK_ID C00008573 | + | KNApSAcK_ID C00008573 |
| − | NAME 3,5,2'-Trihydroxy-7,5'-dimethoxyflavanone | + | NAME 3,5,2'-Trihydroxy-7,5'-dimethoxyflavanone |
| − | CAS_RN 74175-80-7 | + | CAS_RN 74175-80-7 |
| − | FORMULA C17H16O7 | + | FORMULA C17H16O7 |
| − | EXACTMASS 332.089602866 | + | EXACTMASS 332.089602866 |
| − | AVERAGEMASS 332.30474 | + | AVERAGEMASS 332.30474 |
| − | SMILES COc(c3)cc(c(O)c3)[C@@H](O1)[C@@H](O)C(=O)c(c(O)2)c(cc(OC)c2)1 | + | SMILES COc(c3)cc(c(O)c3)[C@@H](O1)[C@@H](O)C(=O)c(c(O)2)c(cc(OC)c2)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 0 0 0 0 0 0999 V2000
-2.1030 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5822 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0613 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0613 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5822 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1030 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5404 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0195 -0.4629 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.0195 0.1385 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.5404 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5009 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5404 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0352 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5696 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5696 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0352 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5009 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4119 -0.8943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5822 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0326 1.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4356 -0.0610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3017 -0.5610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4603 0.7573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9603 1.6233 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 6 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
8 18 1 1 0 0 0
2 19 1 0 0 0 0
17 20 1 0 0 0 0
14 21 1 0 0 0 0
21 22 1 0 0 0 0
6 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 25
M SMT 2 OCH3
M SVB 2 25 -2.4603 0.7573
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SVB 1 23 1.7458 0.2327
S SKP 8
ID FL4DA8NS0004
KNApSAcK_ID C00008573
NAME 3,5,2'-Trihydroxy-7,5'-dimethoxyflavanone
CAS_RN 74175-80-7
FORMULA C17H16O7
EXACTMASS 332.089602866
AVERAGEMASS 332.30474
SMILES COc(c3)cc(c(O)c3)[C@@H](O1)[C@@H](O)C(=O)c(c(O)2)c(cc(OC)c2)1
M END
