Mol:FL3FECGS0020
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
39 42 0 0 0 0 0 0 0 0999 V2000
0.4222 -0.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4222 -0.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8732 -1.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3243 -0.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3243 -0.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8732 -0.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7754 -1.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2264 -0.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2264 -0.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7754 -0.1983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7754 -1.6461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6773 -0.1984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1371 -0.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5968 -0.1984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5968 0.3324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1371 0.5978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6773 0.3324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1371 1.2016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1870 0.6732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8732 -1.7598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0279 -0.1989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0279 -1.2395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6674 -0.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1517 -0.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4092 -0.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6928 -0.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2134 -0.1470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8630 -0.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9556 -1.0034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9838 -1.3897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2416 0.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0848 0.7510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5104 1.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2043 0.9907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6839 1.2676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1870 0.9772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6839 1.7598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5104 1.7170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2753 -0.4465 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
16 18 1 0 0 0 0
19 15 1 0 0 0 0
3 20 1 0 0 0 0
1 21 1 0 0 0 0
2 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
24 29 1 0 0 0 0
25 30 1 0 0 0 0
26 21 1 0 0 0 0
28 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 2 0 0 0 0
35 37 1 0 0 0 0
33 38 2 0 0 0 0
23 39 1 0 0 0 0
S SKP 8
ID FL3FECGS0020
KNApSAcK_ID C00004395
NAME 6-Hydroxyluteolin 7-(6''-malonylglucoside)
CAS_RN 98767-37-4
FORMULA C24H22O15
EXACTMASS 550.095870034
AVERAGEMASS 550.42248
SMILES O=C(CC(O)=O)OCC(C(O)1)OC(Oc(c(O)4)cc(O2)c(c4O)C(=O)C=C2c(c3)cc(c(c3)O)O)C(C(O)1)O
M END
