Mol:FL4DCENS0002
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 |
| − | -2.4758 0.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4758 0.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7631 0.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7631 0.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4726 -0.6706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4726 -0.6706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7558 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7558 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0432 -0.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0432 -0.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0468 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0468 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3269 -1.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3269 -1.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3857 -0.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3857 -0.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3821 0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3821 0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3342 0.5764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3342 0.5764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0359 0.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0359 0.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7519 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7519 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4648 0.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4648 0.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4616 1.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4616 1.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7456 1.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7456 1.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0327 1.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0327 1.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3258 -1.7169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3258 -1.7169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7558 -1.7881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7558 -1.7881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0936 0.5111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0936 0.5111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9636 -0.9916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9636 -0.9916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7297 0.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7297 0.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0487 0.2162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0487 0.2162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1197 1.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1197 1.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7297 1.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7297 1.4061 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 |
| − | 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 6 0 0 0 | + | 8 20 1 6 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 13 22 1 0 0 0 0 | + | 13 22 1 0 0 0 0 |
| − | 14 23 1 0 0 0 0 | + | 14 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 FL4DCENS0002 | + | ID FL4DCENS0002 |
| − | KNApSAcK_ID C00014368 | + | KNApSAcK_ID C00014368 |
| − | NAME (2R,3S)-3,5,3'-Trihydroxy-7,4'-dimethoxyflavanone | + | NAME (2R,3S)-3,5,3'-Trihydroxy-7,4'-dimethoxyflavanone |
| − | CAS_RN 307499-82-7 | + | CAS_RN 307499-82-7 |
| − | FORMULA C17H16O7 | + | FORMULA C17H16O7 |
| − | EXACTMASS 332.089602866 | + | EXACTMASS 332.089602866 |
| − | AVERAGEMASS 332.30474 | + | AVERAGEMASS 332.30474 |
| − | SMILES COc(c3)cc(O1)c(c(O)3)C(=O)C(O)C1c(c2)cc(O)c(OC)c2 | + | SMILES COc(c3)cc(O1)c(c(O)3)C(=O)C(O)C1c(c2)cc(O)c(OC)c2 |
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
-2.4758 0.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7631 0.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4726 -0.6706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7558 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0432 -0.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0468 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3269 -1.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3857 -0.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3821 0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3342 0.5764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0359 0.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7519 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4648 0.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4616 1.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7456 1.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0327 1.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3258 -1.7169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7558 -1.7881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0936 0.5111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9636 -0.9916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7297 0.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0487 0.2162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1197 1.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7297 1.4061 0.0000 C 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 6 0 0 0
19 21 1 0 0 0 0
13 22 1 0 0 0 0
14 23 1 0 0 0 0
23 24 1 0 0 0 0
S SKP 8
ID FL4DCENS0002
KNApSAcK_ID C00014368
NAME (2R,3S)-3,5,3'-Trihydroxy-7,4'-dimethoxyflavanone
CAS_RN 307499-82-7
FORMULA C17H16O7
EXACTMASS 332.089602866
AVERAGEMASS 332.30474
SMILES COc(c3)cc(O1)c(c(O)3)C(=O)C(O)C1c(c2)cc(O)c(OC)c2
M END
