Mol:FL2FA8NS0007
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 |
| − | -2.1940 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1940 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1940 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1940 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4795 -1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4795 -1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7651 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7651 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7651 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7651 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4795 0.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4795 0.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0506 -1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0506 -1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6639 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6639 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6639 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6639 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0506 0.5566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0506 0.5566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4224 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4224 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1368 0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1368 0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8513 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8513 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8513 1.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8513 1.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1368 1.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1368 1.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4224 1.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4224 1.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0506 -1.8195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0506 -1.8195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4795 -1.7866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4795 -1.7866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1368 -0.5162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1368 -0.5162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5200 0.1959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5200 0.1959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8644 0.5311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8644 0.5311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5200 0.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5200 0.1526 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 |
| − | 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FA8NS0007 | + | ID FL2FA8NS0007 |
| − | KNApSAcK_ID C00014118 | + | KNApSAcK_ID C00014118 |
| − | NAME 5,2',3'-Trihydroxy-7-methoxyflavanone | + | NAME 5,2',3'-Trihydroxy-7-methoxyflavanone |
| − | CAS_RN 188440-66-6 | + | CAS_RN 188440-66-6 |
| − | FORMULA C16H14O6 | + | FORMULA C16H14O6 |
| − | EXACTMASS 302.07903818 | + | EXACTMASS 302.07903818 |
| − | AVERAGEMASS 302.27876000000003 | + | AVERAGEMASS 302.27876000000003 |
| − | SMILES COc(c3)cc(O1)c(c(O)3)C(=O)CC1c(c2)c(O)c(O)cc2 | + | SMILES COc(c3)cc(O1)c(c(O)3)C(=O)CC1c(c2)c(O)c(O)cc2 |
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
-2.1940 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1940 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4795 -1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7651 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7651 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4795 0.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0506 -1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6639 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6639 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0506 0.5566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4224 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1368 0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8513 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8513 1.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1368 1.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4224 1.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0506 -1.8195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4795 -1.7866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1368 -0.5162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5200 0.1959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8644 0.5311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5200 0.1526 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
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
7 17 2 0 0 0 0
3 18 1 0 0 0 0
12 19 1 0 0 0 0
13 20 1 0 0 0 0
1 21 1 0 0 0 0
21 22 1 0 0 0 0
S SKP 8
ID FL2FA8NS0007
KNApSAcK_ID C00014118
NAME 5,2',3'-Trihydroxy-7-methoxyflavanone
CAS_RN 188440-66-6
FORMULA C16H14O6
EXACTMASS 302.07903818
AVERAGEMASS 302.27876000000003
SMILES COc(c3)cc(O1)c(c(O)3)C(=O)CC1c(c2)c(O)c(O)cc2
M END
