Mol:FL3FCKGS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
37 40 0 0 0 0 0 0 0 0999 V2000
1.5888 1.3441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5888 0.5191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3033 0.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0178 0.5191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0178 1.3441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3033 1.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8744 0.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1599 0.5191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5546 0.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5546 -0.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1599 -1.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8744 -0.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2691 0.5191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9835 0.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9835 -0.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2691 -1.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1599 -1.8491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6980 0.5191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2691 -1.8168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7322 1.7566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3033 2.5816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7322 0.1066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4467 0.5191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4467 1.3441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3558 0.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9637 -1.8490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5512 -2.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7531 -2.3544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9598 -2.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3723 -1.8666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1704 -2.0757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3273 -1.4900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8070 -1.2131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4467 -2.3321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9997 -2.3045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9245 -2.9941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0178 2.9941 0.0000 C 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
6 21 1 0 0 0 0
4 22 1 0 0 0 0
22 23 1 0 0 0 0
20 24 1 0 0 0 0
18 25 1 0 0 0 0
26 27 1 1 0 0 0
27 28 1 1 0 0 0
29 28 1 1 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 26 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
26 34 1 0 0 0 0
27 35 1 0 0 0 0
28 36 1 0 0 0 0
29 19 1 0 0 0 0
21 37 1 0 0 0 0
S SKP 8
ID FL3FCKGS0002
KNApSAcK_ID C00013720
NAME Lethedoside B;Tricetin 7,3',4',5'-trimethyl eter 5-glucoside;5-(beta-D-glucopyranosyloxy)-7-methoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 221289-29-8
FORMULA C25H28O12
EXACTMASS 520.15807636
AVERAGEMASS 520.48262
SMILES O(C(C4O)OC(CO)C(O)C4O)c(c3)c(c(cc3OC)1)C(=O)C=C(c(c2)cc(OC)c(OC)c2OC)O1
M END
