Mol:FL4DFANS0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8109 -0.2776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8109 -0.2776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2901 -0.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2901 -0.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7692 -0.2776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7692 -0.2776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7692 0.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7692 0.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2901 0.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2901 0.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8109 0.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8109 0.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2483 -0.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2483 -0.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2726 -0.2776 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.2726 -0.2776 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 0.2726 0.3239 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 0.2726 0.3239 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -0.2483 0.6246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2483 0.6246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2483 -1.1022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2483 -1.1022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2901 -1.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2901 -1.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3177 0.6164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3177 0.6164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7157 -0.7207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7157 -0.7207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8523 0.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8523 0.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3810 0.3180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3810 0.3180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9097 0.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9097 0.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9097 1.2338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9097 1.2338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3810 1.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3810 1.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8523 1.2338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8523 1.2338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3177 1.4693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3177 1.4693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2604 -1.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2604 -1.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2604 -1.5391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2604 -1.5391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8323 -0.8819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8323 -0.8819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3432 1.3295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3432 1.3295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4183 2.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4183 2.3266 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 1 0 0 0 | + | 8 14 1 1 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 |
| − | 18 21 1 0 0 0 0 | + | 18 21 1 0 0 0 0 |
| − | 14 22 1 0 0 0 0 | + | 14 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 5 25 1 0 0 0 0 | + | 5 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 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 25 26 | + | M SAL 1 2 25 26 |
| − | M SBL 1 1 27 | + | M SBL 1 1 27 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 27 -0.623 0.8583 | + | M SVB 1 27 -0.623 0.8583 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DFANS0003 | + | ID FL4DFANS0003 |
| − | KNApSAcK_ID C00008741 | + | KNApSAcK_ID C00008741 |
| − | NAME 3,5,7,4'-Tetrahydroxy-8-methoxyflavanone 3-acetate | + | NAME 3,5,7,4'-Tetrahydroxy-8-methoxyflavanone 3-acetate |
| − | CAS_RN 111514-44-4 | + | CAS_RN 111514-44-4 |
| − | FORMULA C18H16O8 | + | FORMULA C18H16O8 |
| − | EXACTMASS 360.08451748799996 | + | EXACTMASS 360.08451748799996 |
| − | AVERAGEMASS 360.31484 | + | AVERAGEMASS 360.31484 |
| − | SMILES c(c1OC)(O)cc(c(C2=O)c(O[C@H](c(c3)ccc(O)c3)[C@H]2OC(C)=O)1)O | + | SMILES c(c1OC)(O)cc(c(C2=O)c(O[C@H](c(c3)ccc(O)c3)[C@H]2OC(C)=O)1)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/
26 28 0 0 0 0 0 0 0 0999 V2000
-1.8109 -0.2776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2901 -0.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7692 -0.2776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7692 0.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2901 0.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8109 0.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2483 -0.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2726 -0.2776 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.2726 0.3239 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.2483 0.6246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2483 -1.1022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2901 -1.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3177 0.6164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7157 -0.7207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8523 0.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3810 0.3180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9097 0.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9097 1.2338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3810 1.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8523 1.2338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3177 1.4693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2604 -1.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2604 -1.5391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8323 -0.8819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3432 1.3295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4183 2.3266 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 1 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
18 21 1 0 0 0 0
14 22 1 0 0 0 0
22 23 2 0 0 0 0
22 24 1 0 0 0 0
5 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 27
M SMT 1 OCH3
M SVB 1 27 -0.623 0.8583
S SKP 8
ID FL4DFANS0003
KNApSAcK_ID C00008741
NAME 3,5,7,4'-Tetrahydroxy-8-methoxyflavanone 3-acetate
CAS_RN 111514-44-4
FORMULA C18H16O8
EXACTMASS 360.08451748799996
AVERAGEMASS 360.31484
SMILES c(c1OC)(O)cc(c(C2=O)c(O[C@H](c(c3)ccc(O)c3)[C@H]2OC(C)=O)1)O
M END
