Mol:FL4DACNM0003
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 |
| − | -2.4763 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4763 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7628 0.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7628 0.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4714 -0.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4714 -0.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7536 -1.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7536 -1.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0429 -0.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0429 -0.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0465 0.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0465 0.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3247 -1.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3247 -1.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3870 -0.6154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3870 -0.6154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3815 0.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3815 0.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3339 0.6174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3339 0.6174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0960 0.6221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0960 0.6221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8113 0.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8113 0.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5249 0.6308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5249 0.6308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5199 1.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5199 1.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8047 1.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8047 1.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0919 1.4487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0919 1.4487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3247 -1.8576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3247 -1.8576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7536 -1.8639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7536 -1.8639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1908 0.6064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1908 0.6064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1015 -1.0279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1015 -1.0279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1908 1.8431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1908 1.8431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1460 0.2722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1460 0.2722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4295 1.8311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4295 1.8311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1807 1.4788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1807 1.4788 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 |
| − | 1 3 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 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 6 1 0 0 0 0 | + | 10 6 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 4 18 1 0 0 0 0 | + | 4 18 1 0 0 0 0 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 13 22 1 0 0 0 0 | + | 13 22 1 0 0 0 0 |
| − | 16 23 1 0 0 0 0 | + | 16 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DACNM0003 | + | ID FL4DACNM0003 |
| − | KNApSAcK_ID C00014379 | + | KNApSAcK_ID C00014379 |
| − | NAME 3,5,7,3',4'-Pentahydroxy- 6'-hydroxymethylflavanone | + | NAME 3,5,7,3',4'-Pentahydroxy- 6'-hydroxymethylflavanone |
| − | CAS_RN 197247-00-0 | + | CAS_RN 197247-00-0 |
| − | FORMULA C16H14O8 | + | FORMULA C16H14O8 |
| − | EXACTMASS 334.068867424 | + | EXACTMASS 334.068867424 |
| − | AVERAGEMASS 334.27756 | + | AVERAGEMASS 334.27756 |
| − | SMILES OCc(c3)c(cc(O)c(O)3)C(O1)C(O)C(=O)c(c(O)2)c(cc(O)c2)1 | + | SMILES OCc(c3)c(cc(O)c(O)3)C(O1)C(O)C(=O)c(c(O)2)c(cc(O)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
-2.4763 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7628 0.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4714 -0.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7536 -1.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0429 -0.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0465 0.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3247 -1.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3870 -0.6154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3815 0.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3339 0.6174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0960 0.6221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8113 0.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5249 0.6308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5199 1.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8047 1.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0919 1.4487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3247 -1.8576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7536 -1.8639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1908 0.6064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1015 -1.0279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1908 1.8431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1460 0.2722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4295 1.8311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1807 1.4788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 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 2 1 0 0 0 0
5 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 6 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
7 17 2 0 0 0 0
4 18 1 0 0 0 0
8 20 1 0 0 0 0
1 19 1 0 0 0 0
14 21 1 0 0 0 0
13 22 1 0 0 0 0
16 23 1 0 0 0 0
23 24 1 0 0 0 0
S SKP 8
ID FL4DACNM0003
KNApSAcK_ID C00014379
NAME 3,5,7,3',4'-Pentahydroxy- 6'-hydroxymethylflavanone
CAS_RN 197247-00-0
FORMULA C16H14O8
EXACTMASS 334.068867424
AVERAGEMASS 334.27756
SMILES OCc(c3)c(cc(O)c(O)3)C(O1)C(O)C(=O)c(c(O)2)c(cc(O)c2)1
M END
