Mol:FL2FAANSS001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 0 0 0 0 0 0999 V2000
-1.8599 0.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8586 -0.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1419 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4297 -0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4298 0.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1443 0.6185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2870 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9993 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9980 0.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2846 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7146 0.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4281 0.2065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1425 0.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1424 1.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4278 1.8565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7134 1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2828 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1462 -1.8565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5722 0.6202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8230 1.8371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2630 0.6202 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-3.2630 1.1735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2630 0.0836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8230 0.6202 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
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 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 11 1 0 0 0 0
7 17 2 0 0 0 0
3 18 1 0 0 0 0
1 19 1 0 0 0 0
14 20 1 0 0 0 0
19 21 1 0 0 0 0
21 22 2 0 0 0 0
21 23 2 0 0 0 0
21 24 1 0 0 0 0
S SKP 8
ID FL2FAANSS001
KNApSAcK_ID C00014143
NAME 5,7,4'-Trihydroxyflavanone 7-sulfate
CAS_RN 263369-39-7
FORMULA C15H12O8S
EXACTMASS 352.02528805
AVERAGEMASS 352.31698000000006
SMILES Oc(c3)ccc(c3)C(C2)Oc(c1)c(C(=O)2)c(O)cc1OS(O)(=O)=O
M END
