Mol:FL3FGAGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
35 38 0 0 0 0 0 0 0 0999 V2000
1.8350 0.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8350 -0.3841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5495 -0.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2640 -0.3841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2640 0.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5495 0.8534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1205 -0.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4061 -0.3841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3084 -0.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3084 -1.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4061 -2.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1205 -1.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0229 -0.3841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7373 -0.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7373 -1.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0229 -2.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4061 -2.7523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4518 -0.3841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0229 -2.7200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9695 0.8425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0229 0.2703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1256 -0.7731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3873 -1.9968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0840 -1.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3293 2.2392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2515 1.4179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4388 1.2759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8119 0.7396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8896 1.5610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7023 1.7031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6013 2.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9222 2.7523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9695 2.0010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5516 1.8400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8609 0.7655 0.0000 O 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
13 21 1 0 0 0 0
18 22 1 0 0 0 0
15 23 1 0 0 0 0
23 24 1 0 0 0 0
25 26 1 1 0 0 0
26 27 1 1 0 0 0
28 27 1 1 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 25 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
25 33 1 0 0 0 0
26 34 1 0 0 0 0
27 35 1 0 0 0 0
21 28 1 0 0 0 0
S SKP 8
ID FL3FGAGS0001
KNApSAcK_ID C00013703
NAME Isothymusin 8-glucoside;8-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one
CAS_RN 205682-11-7
FORMULA C23H24O12
EXACTMASS 492.126776232
AVERAGEMASS 492.42946
SMILES O(C)c(c(OC)3)c(O)c(c2c3OC(O4)C(O)C(C(C(CO)4)O)O)C(C=C(O2)c(c1)ccc(c1)O)=O
M END
