Mol:FL5FELGS0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 37 40 0 0 0 0 0 0 0 0999 V2000 | + | 37 40 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.1230 0.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1230 0.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4086 0.5765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4086 0.5765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4086 1.4015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4086 1.4015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1230 1.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1230 1.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8375 1.4015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8375 1.4015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8375 0.5765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8375 0.5765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6941 0.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6941 0.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9796 0.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9796 0.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2652 0.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2652 0.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2652 -0.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2652 -0.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9796 -1.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9796 -1.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6941 -0.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6941 -0.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4493 0.5765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4493 0.5765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1638 0.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1638 0.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1638 -0.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1638 -0.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4493 -1.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4493 -1.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9796 -1.7805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9796 -1.7805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8783 0.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8783 0.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4493 -1.8140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4493 -1.8140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4798 1.7723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4798 1.7723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1230 -0.5136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1230 -0.5136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3647 -1.0482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3647 -1.0482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3647 -1.7826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3647 -1.7826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8636 -1.0651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8636 -1.0651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4686 -0.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4686 -0.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1615 1.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1615 1.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6783 0.7717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6783 0.7717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2657 0.0570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2657 0.0570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4674 0.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4674 0.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6739 0.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6739 0.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0865 0.7540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0865 0.7540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8848 0.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8848 0.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0418 1.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0418 1.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5217 1.4078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5217 1.4078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1615 0.2885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1615 0.2885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7144 0.3160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7144 0.3160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6388 -0.3738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6388 -0.3738 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 |
| − | 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 |
| − | 2 7 1 0 0 0 0 | + | 2 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 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 12 22 1 0 0 0 0 | + | 12 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 15 24 1 0 0 0 0 | + | 15 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 27 28 1 1 0 0 0 | + | 27 28 1 1 0 0 0 |
| − | 28 29 1 1 0 0 0 | + | 28 29 1 1 0 0 0 |
| − | 30 29 1 1 0 0 0 | + | 30 29 1 1 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 27 1 0 0 0 0 | + | 32 27 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 27 35 1 0 0 0 0 | + | 27 35 1 0 0 0 0 |
| − | 28 36 1 0 0 0 0 | + | 28 36 1 0 0 0 0 |
| − | 29 37 1 0 0 0 0 | + | 29 37 1 0 0 0 0 |
| − | 30 18 1 0 0 0 0 | + | 30 18 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FELGS0005 | + | ID FL5FELGS0005 |
| − | KNApSAcK_ID C00013996 | + | KNApSAcK_ID C00013996 |
| − | NAME Tridaxidone;5,7,2'-Trihydroxy-3,6,4'-trimethoxyflavone 7-glucoside;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(2-hydroxy-4-methoxyphenyl)-3,6-dimethoxy-4H-1-benzopyran-4-one | + | NAME Tridaxidone;5,7,2'-Trihydroxy-3,6,4'-trimethoxyflavone 7-glucoside;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(2-hydroxy-4-methoxyphenyl)-3,6-dimethoxy-4H-1-benzopyran-4-one |
| − | CAS_RN 439147-54-3 | + | CAS_RN 439147-54-3 |
| − | FORMULA C24H26O13 | + | FORMULA C24H26O13 |
| − | EXACTMASS 522.137340918 | + | EXACTMASS 522.137340918 |
| − | AVERAGEMASS 522.45544 | + | AVERAGEMASS 522.45544 |
| − | SMILES O(c(c(O)3)c(OC(C4O)OC(CO)C(O)C4O)cc(c31)OC(c(c(O)2)ccc(OC)c2)=C(OC)C1=O)C | + | SMILES O(c(c(O)3)c(OC(C4O)OC(CO)C(O)C4O)cc(c31)OC(c(c(O)2)ccc(OC)c2)=C(OC)C1=O)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
37 40 0 0 0 0 0 0 0 0999 V2000
3.1230 0.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4086 0.5765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4086 1.4015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1230 1.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8375 1.4015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8375 0.5765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6941 0.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9796 0.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2652 0.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2652 -0.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9796 -1.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6941 -0.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4493 0.5765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1638 0.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1638 -0.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4493 -1.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9796 -1.7805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8783 0.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4493 -1.8140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4798 1.7723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1230 -0.5136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3647 -1.0482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3647 -1.7826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8636 -1.0651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4686 -0.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1615 1.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6783 0.7717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2657 0.0570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4674 0.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6739 0.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0865 0.7540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8848 0.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0418 1.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5217 1.4078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1615 0.2885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7144 0.3160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6388 -0.3738 0.0000 O 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
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
16 19 1 0 0 0 0
5 20 1 0 0 0 0
1 21 1 0 0 0 0
12 22 1 0 0 0 0
22 23 1 0 0 0 0
15 24 1 0 0 0 0
24 25 1 0 0 0 0
20 26 1 0 0 0 0
27 28 1 1 0 0 0
28 29 1 1 0 0 0
30 29 1 1 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 27 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
27 35 1 0 0 0 0
28 36 1 0 0 0 0
29 37 1 0 0 0 0
30 18 1 0 0 0 0
S SKP 8
ID FL5FELGS0005
KNApSAcK_ID C00013996
NAME Tridaxidone;5,7,2'-Trihydroxy-3,6,4'-trimethoxyflavone 7-glucoside;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(2-hydroxy-4-methoxyphenyl)-3,6-dimethoxy-4H-1-benzopyran-4-one
CAS_RN 439147-54-3
FORMULA C24H26O13
EXACTMASS 522.137340918
AVERAGEMASS 522.45544
SMILES O(c(c(O)3)c(OC(C4O)OC(CO)C(O)C4O)cc(c31)OC(c(c(O)2)ccc(OC)c2)=C(OC)C1=O)C
M END
