Mol:FL5FFCGSS002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
39 42 0 0 0 0 0 0 0 0999 V2000
-2.3867 -1.0602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3867 -1.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6722 -2.2978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9577 -1.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9577 -1.0602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6722 -0.6477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2431 -2.2978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4714 -1.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4714 -1.0602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2431 -0.6477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2431 -3.0614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3711 -0.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0994 -0.9094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8276 -0.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8276 0.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0994 0.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3711 0.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6722 -3.0453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6070 0.8020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2402 -0.5675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0994 1.6131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9080 -2.6323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1096 -2.6323 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.1096 -1.9056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3443 -2.6323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1096 -3.3390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9773 2.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2840 1.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7095 1.0378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3720 0.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1958 1.1252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7706 1.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5123 2.7190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6070 2.1464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7313 0.1785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6688 0.1029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5972 2.2267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9550 1.1144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9550 3.3390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
3 18 1 0 0 0 0
19 15 1 0 0 0 0
4 3 1 0 0 0 0
1 20 1 0 0 0 0
16 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
23 25 1 0 0 0 0
23 26 2 0 0 0 0
25 8 1 0 0 0 0
27 28 1 1 0 0 0
28 29 1 1 0 0 0
30 29 1 1 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 27 1 0 0 0 0
27 33 1 0 0 0 0
28 34 1 0 0 0 0
29 35 1 0 0 0 0
30 36 1 0 0 0 0
36 6 1 0 0 0 0
37 38 2 0 0 0 0
37 39 1 0 0 0 0
32 37 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 37 38 39
M SBL 1 1 42
M SMT 1 COOH
M SBV 1 42 -0.1734 -0.7398
S SKP 5
ID FL5FFCGSS002
FORMULA C21H18O17S
EXACTMASS 574.02646984
AVERAGEMASS 574.4234200000001
SMILES C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c(O)3)c(c(c(c3)O)2)OC(=C(OS(O)(=O)=O)C2=O)c(c1)cc(c(O)c1)O)O)O
M END
