Mol:FL5FGANI0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 34 0 0 0 0 0 0 0 0999 V2000 | + | 32 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0737 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0737 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1853 -1.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1853 -1.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6932 -1.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6932 -1.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0896 -1.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0896 -1.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9780 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9780 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4701 -0.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4701 -0.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5975 -1.8953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5975 -1.8953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0061 -1.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0061 -1.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1177 -1.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1177 -1.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3744 -0.6301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3744 -0.6301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6845 -2.3886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6845 -2.3886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7211 -0.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7211 -0.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2225 -1.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2225 -1.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8378 -1.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8378 -1.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9514 -0.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9514 -0.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4499 0.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4499 0.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8348 -0.1787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8348 -0.1787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8047 -2.3345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8047 -2.3345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5656 -0.2438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5656 -0.2438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3586 0.1954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3586 0.1954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8505 0.6082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8505 0.6082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7390 1.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7390 1.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4539 0.3886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4539 0.3886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2309 1.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2309 1.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1194 2.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1194 2.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1356 1.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1356 1.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5665 -0.1517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5665 -0.1517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1985 -0.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1985 -0.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7721 -2.3185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7721 -2.3185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5382 -2.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5382 -2.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8730 -1.0751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8730 -1.0751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2410 -1.6054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2410 -1.6054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 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 2 0 0 0 0 | + | 8 9 2 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 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 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 2 0 0 0 0 | + | 21 23 2 0 0 0 0 |
| − | 22 24 2 0 0 0 0 | + | 22 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 22 26 1 0 0 0 0 | + | 22 26 1 0 0 0 0 |
| − | 15 27 1 0 0 0 0 | + | 15 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 8 29 1 0 0 0 0 | + | 8 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 2 31 1 0 0 0 0 | + | 2 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 31 32 | + | M SAL 3 2 31 32 |
| − | M SBL 3 1 33 | + | M SBL 3 1 33 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 33 -2.9555 -1.1929 | + | M SVB 3 33 -2.9555 -1.1929 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 29 30 | + | M SAL 2 2 29 30 |
| − | M SBL 2 1 31 | + | M SBL 2 1 31 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 31 0.183 -1.4906 | + | M SVB 2 31 0.183 -1.4906 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 27 28 | + | M SAL 1 2 27 28 |
| − | M SBL 1 1 29 | + | M SBL 1 1 29 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 29 2.241 0.661 | + | M SVB 1 29 2.241 0.661 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FGANI0003 | + | ID FL5FGANI0003 |
| − | KNApSAcK_ID C00004935 | + | KNApSAcK_ID C00004935 |
| − | NAME Pratensin A;5,7,8-Trihydroxy-3,6,4'-trimethoxyflavone 8-tiglate;(E)-5,7-Dihydroxy-3,6-dimethoxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl ester 2-methyl-2-butenoic acid | + | NAME Pratensin A;5,7,8-Trihydroxy-3,6,4'-trimethoxyflavone 8-tiglate;(E)-5,7-Dihydroxy-3,6-dimethoxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl ester 2-methyl-2-butenoic acid |
| − | CAS_RN 142609-00-5 | + | CAS_RN 142609-00-5 |
| − | FORMULA C23H22O9 | + | FORMULA C23H22O9 |
| − | EXACTMASS 442.126382302 | + | EXACTMASS 442.126382302 |
| − | AVERAGEMASS 442.41538 | + | AVERAGEMASS 442.41538 |
| − | SMILES O(C)c(c3)ccc(c3)C(O2)=C(OC)C(=O)c(c21)c(O)c(c(c(OC(C(C)=CC)=O)1)O)OC | + | SMILES O(C)c(c3)ccc(c3)C(O2)=C(OC)C(=O)c(c21)c(O)c(c(c(OC(C(C)=CC)=O)1)O)OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 34 0 0 0 0 0 0 0 0999 V2000
-2.0737 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1853 -1.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6932 -1.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0896 -1.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9780 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4701 -0.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5975 -1.8953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0061 -1.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1177 -1.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3744 -0.6301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6845 -2.3886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7211 -0.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2225 -1.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8378 -1.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9514 -0.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4499 0.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8348 -0.1787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8047 -2.3345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5656 -0.2438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3586 0.1954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8505 0.6082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7390 1.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4539 0.3886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2309 1.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1194 2.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1356 1.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5665 -0.1517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1985 -0.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7721 -2.3185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5382 -2.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8730 -1.0751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2410 -1.6054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 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 12 1 0 0 0 0
3 18 1 0 0 0 0
1 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
21 23 2 0 0 0 0
22 24 2 0 0 0 0
24 25 1 0 0 0 0
22 26 1 0 0 0 0
15 27 1 0 0 0 0
27 28 1 0 0 0 0
8 29 1 0 0 0 0
29 30 1 0 0 0 0
2 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 31 32
M SBL 3 1 33
M SMT 3 OCH3
M SVB 3 33 -2.9555 -1.1929
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 29 30
M SBL 2 1 31
M SMT 2 OCH3
M SVB 2 31 0.183 -1.4906
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 27 28
M SBL 1 1 29
M SMT 1 OCH3
M SVB 1 29 2.241 0.661
S SKP 8
ID FL5FGANI0003
KNApSAcK_ID C00004935
NAME Pratensin A;5,7,8-Trihydroxy-3,6,4'-trimethoxyflavone 8-tiglate;(E)-5,7-Dihydroxy-3,6-dimethoxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl ester 2-methyl-2-butenoic acid
CAS_RN 142609-00-5
FORMULA C23H22O9
EXACTMASS 442.126382302
AVERAGEMASS 442.41538
SMILES O(C)c(c3)ccc(c3)C(O2)=C(OC)C(=O)c(c21)c(O)c(c(c(OC(C(C)=CC)=O)1)O)OC
M END
