Mol:FL1C3CGS0010
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
43 46 0 0 0 0 0 0 0 0999 V2000
-1.2278 1.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2278 0.9088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4924 0.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2431 0.9088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2431 1.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4924 2.1826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9781 0.4844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7118 0.9079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4436 0.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1739 0.9069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8886 0.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6034 0.9069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6034 1.7322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8886 2.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1739 1.7322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9781 -0.3626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4924 -0.3647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8080 2.1357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3178 2.1447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7255 0.4856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3178 0.4944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1191 1.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5182 0.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9454 1.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2770 1.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8988 1.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4889 1.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7642 0.9702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2012 0.6637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1485 1.0891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2265 -1.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4725 -1.5677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1864 -0.9176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6932 -0.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3961 -0.4611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7025 -1.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4818 -2.1826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7880 -2.0385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3895 -0.7041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2227 1.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3178 1.8118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4775 -1.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4260 -1.7497 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 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 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 10 1 0 0 0 0
7 16 2 0 0 0 0
3 17 1 0 0 0 0
1 18 1 0 0 0 0
13 19 1 0 0 0 0
20 2 1 0 0 0 0
12 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 18 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 39 1 0 0 0 0
34 20 1 0 0 0 0
40 41 1 0 0 0 0
27 40 1 0 0 0 0
42 43 1 0 0 0 0
36 42 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 40 41
M SBL 1 1 44
M SMT 1 ^CH2OH
M SBV 1 44 0.7337 -0.4184
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 42 43
M SBL 2 1 46
M SMT 2 ^CH2OH
M SBV 2 46 0.7750 0.0912
S SKP 5
ID FL1C3CGS0010
FORMULA C27H32O16
EXACTMASS 612.1690349759999
AVERAGEMASS 612.53338
SMILES O=C(c(c3)c(c(c(OC(C4O)OC(CO)C(O)C4O)c3)OC(C(O)2)OC(C(O)C(O)2)CO)O)C=Cc(c1)cc(O)c(c1)O
M END
