Mol:FL4DCENS0001
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 |
| − | -2.2817 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2817 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7608 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7608 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2399 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2399 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2399 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2399 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7608 0.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7608 0.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2817 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2817 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7190 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7190 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1981 -0.7709 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -0.1981 -0.7709 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -0.1981 -0.1695 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -0.1981 -0.1695 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -0.7190 0.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7190 0.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3222 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3222 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7190 -1.5956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7190 -1.5956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8566 -0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8566 -0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3910 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3910 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3910 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3910 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8566 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8566 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3222 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3222 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2332 -1.2023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2332 -1.2023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7608 -1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7608 -1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8566 1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8566 1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9244 1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9244 1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6389 0.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6389 0.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6389 0.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6389 0.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1388 1.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1388 1.3154 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 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 8 18 1 1 0 0 0 | + | 8 18 1 1 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 6 23 1 0 0 0 0 | + | 6 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 23 24 | + | M SAL 2 2 23 24 |
| − | M SBL 2 1 25 | + | M SBL 2 1 25 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 25 -2.6389 0.4493 | + | M SVB 2 25 -2.6389 0.4493 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 23 | + | M SBL 1 1 23 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 23 1.9244 1.056 | + | M SVB 1 23 1.9244 1.056 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DCENS0001 | + | ID FL4DCENS0001 |
| − | KNApSAcK_ID C00008582 | + | KNApSAcK_ID C00008582 |
| − | NAME Taxifolin 7,4'-dimethyl ether; (2R,3R)-3,5,3'-Trihydroxy-7,4'-dimethoxyflavanone | + | NAME Taxifolin 7,4'-dimethyl ether; (2R,3R)-3,5,3'-Trihydroxy-7,4'-dimethoxyflavanone |
| − | CAS_RN 79995-67-8 | + | CAS_RN 79995-67-8 |
| − | 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@H](O)[C@H]1c(c2)cc(O)c(OC)c2 | + | SMILES COc(c3)cc(O1)c(c(O)3)C(=O)[C@H](O)[C@H]1c(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
-2.2817 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7608 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2399 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2399 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7608 0.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2817 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7190 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1981 -0.7709 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.1981 -0.1695 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.7190 0.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3222 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7190 -1.5956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8566 -0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3910 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3910 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8566 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3222 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2332 -1.2023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7608 -1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8566 1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9244 1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6389 0.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6389 0.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1388 1.3154 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
3 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 4 1 0 0 0 0
9 11 1 6 0 0 0
7 12 2 0 0 0 0
11 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 11 1 0 0 0 0
8 18 1 1 0 0 0
2 19 1 0 0 0 0
16 20 1 0 0 0 0
15 21 1 0 0 0 0
21 22 1 0 0 0 0
6 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 25
M SMT 2 OCH3
M SVB 2 25 -2.6389 0.4493
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SVB 1 23 1.9244 1.056
S SKP 8
ID FL4DCENS0001
KNApSAcK_ID C00008582
NAME Taxifolin 7,4'-dimethyl ether; (2R,3R)-3,5,3'-Trihydroxy-7,4'-dimethoxyflavanone
CAS_RN 79995-67-8
FORMULA C17H16O7
EXACTMASS 332.089602866
AVERAGEMASS 332.30474
SMILES COc(c3)cc(O1)c(c(O)3)C(=O)[C@H](O)[C@H]1c(c2)cc(O)c(OC)c2
M END
