Mol:FL3FABGS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-1.0227 0.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0227 -0.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3217 -1.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3794 -0.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3794 0.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3217 0.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0806 -1.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7815 -0.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7815 0.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0806 0.5067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0806 -1.7436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4823 0.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1968 0.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9115 0.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9115 1.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1968 1.7440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4823 1.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7235 0.5065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3217 -1.7440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9503 0.6026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3092 -0.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3860 0.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4952 0.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1425 0.7724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0855 0.4337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7362 0.3213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1216 -0.1907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6278 1.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5186 -0.4838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2772 1.7287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5963 1.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3524 1.1100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6257 1.7439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7362 1.1027 0.0000 C 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
3 4 1 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
1 18 1 0 0 0 0
19 3 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
25 28 1 0 0 0 0
22 29 1 0 0 0 0
23 18 1 0 0 0 0
28 30 1 0 0 0 0
30 31 1 0 0 0 0
28 32 2 0 0 0 0
33 34 1 0 0 0 0
15 33 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 33 34
M SBL 1 1 37
M SMT 1 OCH3
M SBV 1 37 -0.7142 -0.4123
S SKP 5
ID FL3FABGS0004
FORMULA C23H22O11
EXACTMASS 474.116211546
AVERAGEMASS 474.41418000000004
SMILES c(c1C(O2)=CC(c(c4O)c(cc(c4)OC(O3)C(O)C(C(O)C3C(OC)=O)O)2)=O)cc(OC)cc1
M END
