Mol:FL4DAGNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7719 -0.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7719 -0.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7719 -0.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7719 -0.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2714 -1.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2714 -1.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7710 -0.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7710 -0.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7710 -0.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7710 -0.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2714 0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2714 0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2705 -1.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2705 -1.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2299 -0.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2299 -0.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2299 -0.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2299 -0.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2705 0.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2705 0.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7301 0.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7301 0.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2444 -0.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2444 -0.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7588 0.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7588 0.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7588 0.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7588 0.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2444 1.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2444 1.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7301 0.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7301 0.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2299 0.5167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2299 0.5167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2720 0.1248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2720 0.1248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2720 1.0150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2720 1.0150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2714 -1.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2714 -1.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8694 -0.7418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8694 -0.7418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7076 -1.2195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7076 -1.2195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2705 -1.4634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2705 -1.4634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2444 1.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2444 1.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2720 -0.1715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2720 -0.1715 0.0000 O 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 |
| − | 4 7 1 0 0 0 0 | + | 4 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 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 17 1 1 0 0 0 | + | 9 17 1 1 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 8 21 1 1 0 0 0 | + | 8 21 1 1 0 0 0 |
| − | 8 22 1 6 0 0 0 | + | 8 22 1 6 0 0 0 |
| − | 7 23 2 0 0 0 0 | + | 7 23 2 0 0 0 0 |
| − | 15 24 1 0 0 0 0 | + | 15 24 1 0 0 0 0 |
| − | 13 25 1 0 0 0 0 | + | 13 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DAGNS0001 | + | ID FL4DAGNS0001 |
| − | KNApSAcK_ID C00000938 | + | KNApSAcK_ID C00000938 |
| − | NAME Ampelopsin;(2R,3R)-3,5,7,3',4',5'-Hexahydroxyflavanone | + | NAME Ampelopsin;(2R,3R)-3,5,7,3',4',5'-Hexahydroxyflavanone |
| − | CAS_RN 27200-12-0 | + | CAS_RN 27200-12-0 |
| − | FORMULA C15H12O8 | + | FORMULA C15H12O8 |
| − | EXACTMASS 320.05321735999996 | + | EXACTMASS 320.05321735999996 |
| − | AVERAGEMASS 320.25098 | + | AVERAGEMASS 320.25098 |
| − | SMILES Oc(c3)cc(O1)c(c(O)3)C(=O)C([H])(O)C([H])1c(c2)cc(O)c(O)c(O)2 | + | SMILES Oc(c3)cc(O1)c(c(O)3)C(=O)C([H])(O)C([H])1c(c2)cc(O)c(O)c(O)2 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-1.7719 -0.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7719 -0.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2714 -1.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7710 -0.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7710 -0.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2714 0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2705 -1.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2299 -0.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2299 -0.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2705 0.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7301 0.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2444 -0.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7588 0.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7588 0.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2444 1.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7301 0.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2299 0.5167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2720 0.1248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2720 1.0150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2714 -1.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8694 -0.7418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7076 -1.2195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2705 -1.4634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2444 1.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2720 -0.1715 0.0000 O 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
4 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 5 1 0 0 0 0
9 11 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 17 1 1 0 0 0
1 18 1 0 0 0 0
14 19 1 0 0 0 0
3 20 1 0 0 0 0
8 21 1 1 0 0 0
8 22 1 6 0 0 0
7 23 2 0 0 0 0
15 24 1 0 0 0 0
13 25 1 0 0 0 0
S SKP 8
ID FL4DAGNS0001
KNApSAcK_ID C00000938
NAME Ampelopsin;(2R,3R)-3,5,7,3',4',5'-Hexahydroxyflavanone
CAS_RN 27200-12-0
FORMULA C15H12O8
EXACTMASS 320.05321735999996
AVERAGEMASS 320.25098
SMILES Oc(c3)cc(O1)c(c(O)3)C(=O)C([H])(O)C([H])1c(c2)cc(O)c(O)c(O)2
M END
