Mol:FL3F1CGS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.6326 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6326 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6326 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6326 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0763 -1.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0763 -1.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4800 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4800 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4800 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4800 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0763 0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0763 0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0363 -1.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0363 -1.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5926 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5926 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5926 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5926 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0363 0.0746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0363 0.0746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0363 -1.7110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0363 -1.7110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1487 0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1487 0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7157 -0.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7157 -0.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2827 0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2827 0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2827 0.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2827 0.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7157 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7157 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1487 0.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1487 0.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1887 0.0745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1887 0.0745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5613 -0.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5613 -0.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0457 -0.8241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0457 -0.8241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3032 -0.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3032 -0.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5867 -0.5276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5867 -0.5276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1074 -0.0069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1074 -0.0069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7569 -0.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7569 -0.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3437 0.6685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3437 0.6685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8495 -0.8632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8495 -0.8632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8778 -1.2495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8778 -1.2495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7157 1.7110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7157 1.7110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8495 1.0564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8495 1.0564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4707 0.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4707 0.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7562 -0.1845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7562 -0.1845 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 |
| − | 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 19 20 1 1 0 0 0 | + | 19 20 1 1 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 18 22 1 0 0 0 0 | + | 18 22 1 0 0 0 0 |
| − | 16 28 1 0 0 0 0 | + | 16 28 1 0 0 0 0 |
| − | 15 29 1 0 0 0 0 | + | 15 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 33 | + | M SBL 1 1 33 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 33 -7.0453 4.2912 | + | M SBV 1 33 -7.0453 4.2912 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3F1CGS0002 | + | ID FL3F1CGS0002 |
| − | KNApSAcK_ID C00004134 | + | KNApSAcK_ID C00004134 |
| − | NAME 7,3',4'-Trihydroxyflavone 7-galactoside | + | NAME 7,3',4'-Trihydroxyflavone 7-galactoside |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C21H20O10 | + | FORMULA C21H20O10 |
| − | EXACTMASS 432.10564686 | + | EXACTMASS 432.10564686 |
| − | AVERAGEMASS 432.37749999999994 | + | AVERAGEMASS 432.37749999999994 |
| − | SMILES c(c1)c(C(=C4)Oc(c3C(=O)4)cc(cc3)OC(O2)C(O)C(O)C(O)C2CO)cc(c(O)1)O | + | SMILES c(c1)c(C(=C4)Oc(c3C(=O)4)cc(cc3)OC(O2)C(O)C(O)C(O)C2CO)cc(c(O)1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-0.6326 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6326 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0763 -1.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4800 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4800 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0763 0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0363 -1.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5926 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5926 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0363 0.0746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0363 -1.7110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1487 0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7157 -0.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2827 0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2827 0.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7157 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1487 0.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1887 0.0745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5613 -0.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0457 -0.8241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3032 -0.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5867 -0.5276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1074 -0.0069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7569 -0.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3437 0.6685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8495 -0.8632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8778 -1.2495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7157 1.7110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8495 1.0564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4707 0.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7562 -0.1845 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
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
1 18 1 0 0 0 0
19 20 1 1 0 0 0
20 21 1 1 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
18 22 1 0 0 0 0
16 28 1 0 0 0 0
15 29 1 0 0 0 0
24 30 1 0 0 0 0
30 31 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 33
M SMT 1 CH2OH
M SBV 1 33 -7.0453 4.2912
S SKP 8
ID FL3F1CGS0002
KNApSAcK_ID C00004134
NAME 7,3',4'-Trihydroxyflavone 7-galactoside
CAS_RN -
FORMULA C21H20O10
EXACTMASS 432.10564686
AVERAGEMASS 432.37749999999994
SMILES c(c1)c(C(=C4)Oc(c3C(=O)4)cc(cc3)OC(O2)C(O)C(O)C(O)C2CO)cc(c(O)1)O
M END
