Mol:FL3FACGS0066
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
38 41 0 0 0 0 0 0 0 0999 V2000
0.2046 -0.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2046 -1.1239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6557 -1.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1067 -1.1239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1067 -0.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6557 -0.3427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5578 -1.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0088 -1.1239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0088 -0.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5578 -0.3427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5578 -1.7904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4597 -0.3428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9195 -0.6082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3792 -0.3428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3792 0.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9195 0.4535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4597 0.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6557 -1.9041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2567 -0.2955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8388 0.4535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9195 0.9842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8850 -0.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3693 -1.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6268 -0.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9104 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4310 -0.2914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0806 -0.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3487 -0.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5988 -0.8401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1731 -1.1477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2014 -1.5340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3487 0.6446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9186 0.9736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3185 0.7427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9186 1.5940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3474 1.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8388 1.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3816 1.9041 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
19 1 1 0 0 0 0
15 20 1 0 0 0 0
16 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
27 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
32 28 1 0 0 0 0
25 19 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
35 38 1 0 0 0 0
S SKP 8
ID FL3FACGS0066
KNApSAcK_ID C00004503
NAME Luteolin 7-[6''-(2-methylbutyryl)glucoside];2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-[[6-O-(2-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one
CAS_RN 144599-14-4
FORMULA C26H28O12
EXACTMASS 532.15807636
AVERAGEMASS 532.49332
SMILES c(c3)(c(c(O)cc(OC(O4)C(O)C(C(C4COC(=O)C(CC)C)O)O)3)2)OC(=CC(=O)2)c(c1)cc(c(c1)O)O
M END
