Mol:FL3FGCGS0012
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
2.6544 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6544 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3689 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0834 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0834 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3689 1.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9400 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2255 0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5110 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5110 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2255 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9400 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2035 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9179 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9179 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2035 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2255 -1.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6324 0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2035 -1.7705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7889 1.7920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2035 1.2198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5679 -1.0474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8488 0.1234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3658 0.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9533 0.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1552 0.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3620 0.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7744 0.8031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5726 0.5941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7295 1.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2092 1.4567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8488 0.3377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4018 0.3652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3266 -0.3244 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
15 22 1 0 0 0 0
4 23 1 0 0 0 0
24 25 1 1 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 24 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
24 32 1 0 0 0 0
25 33 1 0 0 0 0
26 34 1 0 0 0 0
18 27 1 0 0 0 0
S SKP 8
ID FL3FGCGS0012
KNApSAcK_ID C00013709
NAME Zeravschanoside;5,6,7,8,3',4'-Hexsahydroxy 7-glucoside;2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5,6,8-trihydroxy-4H-1-benzopyran-4-one
CAS_RN 404891-11-8
FORMULA C21H20O13
EXACTMASS 480.090390726
AVERAGEMASS 480.37569999999994
SMILES C(C1Oc(c4O)c(c(c3c4O)OC(=CC3=O)c(c2)cc(c(O)c2)O)O)(O)C(O)C(O)C(O1)CO
M END
