Mol:FL4DF9NS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 24 0 0 0 0 0 0 0 0999 V2000 | + | 22 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8423 0.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8423 0.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1296 0.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1296 0.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8391 -0.6706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8391 -0.6706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1223 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1223 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4097 -0.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4097 -0.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4133 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4133 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3066 -1.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3066 -1.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0192 -0.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0192 -0.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0156 0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0156 0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2993 0.5764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2993 0.5764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6694 0.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6694 0.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3854 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3854 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0983 0.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0983 0.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0951 1.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0951 1.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3790 1.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3790 1.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6662 1.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6662 1.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3077 -1.7169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3077 -1.7169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1223 -1.7881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1223 -1.7881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4601 0.5111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4601 0.5111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6215 -1.0057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6215 -1.0057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0983 0.1426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0983 0.1426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1296 1.3678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1296 1.3678 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 6 0 0 0 | + | 9 11 1 6 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 |
| − | 8 20 1 1 0 0 0 | + | 8 20 1 1 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DF9NS0001 | + | ID FL4DF9NS0001 |
| − | KNApSAcK_ID C00014364 | + | KNApSAcK_ID C00014364 |
| − | NAME (2R,3R)-3,5,8-Trihydroxy-7-methoxyflavanone | + | NAME (2R,3R)-3,5,8-Trihydroxy-7-methoxyflavanone |
| − | CAS_RN 578730-88-8 | + | CAS_RN 578730-88-8 |
| − | FORMULA C16H14O6 | + | FORMULA C16H14O6 |
| − | EXACTMASS 302.07903818 | + | EXACTMASS 302.07903818 |
| − | AVERAGEMASS 302.27876000000003 | + | AVERAGEMASS 302.27876000000003 |
| − | SMILES COc(c3)c(O)c(O1)c(c(O)3)C(=O)C(O)C(c(c2)cccc2)1 | + | SMILES COc(c3)c(O)c(O1)c(c(O)3)C(=O)C(O)C(c(c2)cccc2)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-1.8423 0.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1296 0.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8391 -0.6706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1223 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4097 -0.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4133 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3066 -1.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0192 -0.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0156 0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2993 0.5764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6694 0.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3854 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0983 0.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0951 1.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3790 1.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6662 1.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3077 -1.7169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1223 -1.7881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4601 0.5111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6215 -1.0057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0983 0.1426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1296 1.3678 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 6 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
8 20 1 1 0 0 0
19 21 1 0 0 0 0
2 22 1 0 0 0 0
S SKP 8
ID FL4DF9NS0001
KNApSAcK_ID C00014364
NAME (2R,3R)-3,5,8-Trihydroxy-7-methoxyflavanone
CAS_RN 578730-88-8
FORMULA C16H14O6
EXACTMASS 302.07903818
AVERAGEMASS 302.27876000000003
SMILES COc(c3)c(O)c(O1)c(c(O)3)C(=O)C(O)C(c(c2)cccc2)1
M END
