Mol:FL5FECGS0040
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 |
| − | -0.3676 -0.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3676 -0.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3676 -0.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3676 -0.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1887 -1.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1887 -1.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7450 -0.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7450 -0.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7450 -0.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7450 -0.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1887 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1887 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3013 -1.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3013 -1.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8576 -0.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8576 -0.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8576 -0.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8576 -0.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3013 0.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3013 0.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3013 -1.7256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3013 -1.7256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5581 0.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5581 0.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1251 -0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1251 -0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6921 0.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6921 0.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6921 0.8383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6921 0.8383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1251 1.1656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1251 1.1656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5581 0.8383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5581 0.8383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1887 -1.8669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1887 -1.8669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2989 1.1886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2989 1.1886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8625 0.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8625 0.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4209 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4209 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1251 1.8201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1251 1.8201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5851 0.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5851 0.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0695 -0.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0695 -0.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3270 -0.3643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3270 -0.3643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6105 -0.3566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6105 -0.3566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1311 0.1641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1311 0.1641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7807 -0.1787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7807 -0.1787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0488 0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0488 0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2989 -0.3846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2989 -0.3846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8733 -0.6922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8733 -0.6922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9015 -1.0785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9015 -1.0785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0653 1.0382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0653 1.0382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5897 1.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5897 1.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1089 1.0351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1089 1.0351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5897 1.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5897 1.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9237 -1.2246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9237 -1.2246 0.0000 O 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 |
| − | 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 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 20 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
| − | 21 8 1 0 0 0 0 | + | 21 8 1 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 16 22 1 0 0 0 0 | + | 16 22 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 25 32 1 0 0 0 0 | + | 25 32 1 0 0 0 0 |
| − | 33 29 1 0 0 0 0 | + | 33 29 1 0 0 0 0 |
| − | 26 20 1 0 0 0 0 | + | 26 20 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 2 0 0 0 0 | + | 34 35 2 0 0 0 0 |
| − | 34 36 1 0 0 0 0 | + | 34 36 1 0 0 0 0 |
| − | 2 37 1 0 0 0 0 | + | 2 37 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FECGS0040 | + | ID FL5FECGS0040 |
| − | KNApSAcK_ID C00006020 | + | KNApSAcK_ID C00006020 |
| − | NAME Quercetagetin 7-(6''-acetylglucoside) | + | NAME Quercetagetin 7-(6''-acetylglucoside) |
| − | CAS_RN 168293-29-6 | + | CAS_RN 168293-29-6 |
| − | FORMULA C23H22O14 | + | FORMULA C23H22O14 |
| − | EXACTMASS 522.100955412 | + | EXACTMASS 522.100955412 |
| − | AVERAGEMASS 522.41238 | + | AVERAGEMASS 522.41238 |
| − | SMILES C(C(O1)C(C(C(O)C1Oc(c4)c(O)c(O)c(c42)C(C(O)=C(c(c3)ccc(c3O)O)O2)=O)O)O)OC(C)=O | + | SMILES C(C(O1)C(C(C(O)C1Oc(c4)c(O)c(O)c(c42)C(C(O)=C(c(c3)ccc(c3O)O)O2)=O)O)O)OC(C)=O |
M END | M END | ||
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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
-0.3676 -0.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3676 -0.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1887 -1.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7450 -0.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7450 -0.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1887 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3013 -1.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8576 -0.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8576 -0.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3013 0.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3013 -1.7256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5581 0.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1251 -0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6921 0.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6921 0.8383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1251 1.1656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5581 0.8383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1887 -1.8669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2989 1.1886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8625 0.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4209 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1251 1.8201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5851 0.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0695 -0.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3270 -0.3643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6105 -0.3566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1311 0.1641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7807 -0.1787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0488 0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2989 -0.3846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8733 -0.6922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9015 -1.0785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0653 1.0382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5897 1.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1089 1.0351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5897 1.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9237 -1.2246 0.0000 O 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
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
19 15 1 0 0 0 0
20 1 1 0 0 0 0
21 8 1 0 0 0 0
4 3 1 0 0 0 0
16 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
28 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
25 32 1 0 0 0 0
33 29 1 0 0 0 0
26 20 1 0 0 0 0
33 34 1 0 0 0 0
34 35 2 0 0 0 0
34 36 1 0 0 0 0
2 37 1 0 0 0 0
S SKP 8
ID FL5FECGS0040
KNApSAcK_ID C00006020
NAME Quercetagetin 7-(6''-acetylglucoside)
CAS_RN 168293-29-6
FORMULA C23H22O14
EXACTMASS 522.100955412
AVERAGEMASS 522.41238
SMILES C(C(O1)C(C(C(O)C1Oc(c4)c(O)c(O)c(c42)C(C(O)=C(c(c3)ccc(c3O)O)O2)=O)O)O)OC(C)=O
M END
