Mol:FL3FEANSS001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-0.6592 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6592 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0553 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7697 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7697 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0553 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4842 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3737 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0881 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0881 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3737 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1987 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9131 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9131 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1987 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4842 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0553 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8026 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8026 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3737 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6276 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5171 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8026 1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-3.6276 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9776 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8026 2.0625 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 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 1 0 0 0 0
5 7 1 0 0 0 0
1 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 2 1 0 0 0 0
7 12 2 0 0 0 0
12 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 7 1 0 0 0 0
3 17 2 0 0 0 0
9 18 1 0 0 0 0
10 19 1 0 0 0 0
11 20 1 0 0 0 0
14 21 1 0 0 0 0
19 22 1 0 0 0 0
18 23 1 0 0 0 0
23 24 2 0 0 0 0
23 25 2 0 0 0 0
23 26 1 0 0 0 0
S SKP 8
ID FL3FEANSS001
KNApSAcK_ID C00010272
NAME Hispidulin 7-sulfate
CAS_RN 110209-96-6
FORMULA C16H12O9S
EXACTMASS 380.020202672
AVERAGEMASS 380.32708
SMILES COc(c(O)1)c(cc(O2)c(C(=O)C=C2c(c3)ccc(O)c3)1)OS(O)(=O)=O
M END
