Mol:FL4DA8NS0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 25 0 0 0 0 0 0 0 0999 V2000 | + | 23 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1320 0.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1320 0.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4193 0.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4193 0.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1288 -0.6706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1288 -0.6706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4120 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4120 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6994 -0.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6994 -0.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7030 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7030 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0169 -1.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0169 -1.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7296 -0.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7296 -0.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7259 0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7259 0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0096 0.5764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0096 0.5764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3797 0.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3797 0.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0957 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0957 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8086 0.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8086 0.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8054 1.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8054 1.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0894 1.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0894 1.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3765 1.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3765 1.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0180 -1.7169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0180 -1.7169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4120 -1.7881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4120 -1.7881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7498 0.5111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7498 0.5111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3880 0.1426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3880 0.1426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3074 -0.9916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3074 -0.9916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0957 -0.5647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0957 -0.5647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3880 0.2189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3880 0.2189 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 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | 12 22 1 0 0 0 0 | + | 12 22 1 0 0 0 0 |
| − | 13 23 1 0 0 0 0 | + | 13 23 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DA8NS0006 | + | ID FL4DA8NS0006 |
| − | KNApSAcK_ID C00014366 | + | KNApSAcK_ID C00014366 |
| − | NAME 3,5,2',3'-Tetrahydroxy-7-methoxyflavanone | + | NAME 3,5,2',3'-Tetrahydroxy-7-methoxyflavanone |
| − | CAS_RN 188440-68-8 | + | CAS_RN 188440-68-8 |
| − | FORMULA C16H14O7 | + | FORMULA C16H14O7 |
| − | EXACTMASS 318.073952802 | + | EXACTMASS 318.073952802 |
| − | AVERAGEMASS 318.27816 | + | AVERAGEMASS 318.27816 |
| − | SMILES COc(c3)cc(O1)c(c(O)3)C(=O)C(O)C1c(c2)c(O)c(O)cc2 | + | SMILES COc(c3)cc(O1)c(c(O)3)C(=O)C(O)C1c(c2)c(O)c(O)cc2 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-2.1320 0.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4193 0.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1288 -0.6706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4120 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6994 -0.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7030 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0169 -1.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7296 -0.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7259 0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0096 0.5764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3797 0.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0957 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8086 0.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8054 1.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0894 1.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3765 1.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0180 -1.7169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4120 -1.7881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7498 0.5111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3880 0.1426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3074 -0.9916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0957 -0.5647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3880 0.2189 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
1 19 1 0 0 0 0
19 20 1 0 0 0 0
8 21 1 0 0 0 0
12 22 1 0 0 0 0
13 23 1 0 0 0 0
S SKP 8
ID FL4DA8NS0006
KNApSAcK_ID C00014366
NAME 3,5,2',3'-Tetrahydroxy-7-methoxyflavanone
CAS_RN 188440-68-8
FORMULA C16H14O7
EXACTMASS 318.073952802
AVERAGEMASS 318.27816
SMILES COc(c3)cc(O1)c(c(O)3)C(=O)C(O)C1c(c2)c(O)c(O)cc2
M END
