Mol:FL63AAGS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-2.8315 1.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8315 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1171 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4026 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4026 1.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1171 1.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6881 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0263 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0263 1.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6881 1.6586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7408 1.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4611 1.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1815 1.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1815 2.4904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4611 2.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7408 2.4904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8710 2.8884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5460 1.6586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7408 0.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1171 -0.8144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9156 -0.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2747 -0.6105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9926 -0.7903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5108 -1.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1516 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4338 -0.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3344 0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9380 -1.6332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5460 -1.3588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3258 -1.7267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6109 -2.9062 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 6 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
17 14 1 0 0 0 0
1 18 1 0 0 0 0
8 19 1 6 0 0 0
3 20 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
22 19 1 0 0 0 0
24 23 1 1 0 0 0
30 31 1 0 0 0 0
24 30 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 34
M SMT 1 CH2OH
M SBV 1 34 -0.8150 0.4025
S SKP 5
ID FL63AAGS0002
FORMULA C21H24O10
EXACTMASS 436.136946988
AVERAGEMASS 436.40926
SMILES C(C1OC(C3c(c4)ccc(O)c4)Cc(c2O3)c(cc(O)c2)O)(O)C(O)C(O)C(O1)CO
M END
