Mol:FL3FCACS0014
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
40 44 0 0 0 0 0 0 0 0999 V2000
-1.9986 -0.7037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9986 -1.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2842 -1.9411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5697 -1.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5697 -0.7037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2842 -0.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1447 -1.9411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8592 -1.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8592 -0.7037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1447 -0.2912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1447 -2.5843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0367 2.4585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8145 1.8692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4846 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4757 0.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8807 0.7971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2725 1.5393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3274 2.4434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7753 2.7658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0312 0.1621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2842 -2.7658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7323 -0.1589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4851 -0.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2381 -0.1589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2381 0.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4851 1.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7323 0.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9905 1.1449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3807 0.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7062 0.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9203 0.8752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7062 1.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3807 2.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1668 1.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1886 2.5232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6965 2.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7516 1.7192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9905 0.5060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6384 -0.3668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5466 -1.2750 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
12 13 1 1 0 0 0
13 14 1 1 0 0 0
15 14 1 1 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 12 1 0 0 0 0
12 18 1 0 0 0 0
13 19 1 0 0 0 0
14 20 1 0 0 0 0
6 15 1 0 0 0 0
3 21 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 22 1 0 0 0 0
9 22 1 0 0 0 0
25 28 1 0 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 33 1 0 0 0 0
33 34 1 1 0 0 0
34 29 1 1 0 0 0
33 35 1 0 0 0 0
32 36 1 0 0 0 0
34 37 1 0 0 0 0
29 38 1 0 0 0 0
30 20 1 0 0 0 0
39 40 1 0 0 0 0
1 39 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 39 40
M SBL 1 1 44
M SMT 1 ^ OCH3
M SBV 1 44 0.6398 -0.3369
S SKP 5
ID FL3FCACS0014
FORMULA C27H30O13
EXACTMASS 562.168641046
AVERAGEMASS 562.5193
SMILES O=C(c25)C=C(Oc2c(c(OC)cc5O)C(C3OC(O4)C(O)C(O)C(C4C)O)OCC(O)C(O)3)c(c1)ccc(O)c1
M END
