Mol:FL3FEAGS0035
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
47 51 0 0 0 0 0 0 0 0999 V2000
-1.0401 -1.3224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0401 -2.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3997 -2.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2405 -2.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2405 -1.3810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3997 -1.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8808 -2.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5212 -2.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5212 -1.3810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8808 -1.0114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8989 -3.2817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1611 -1.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8138 -1.3883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4664 -1.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4664 -0.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8138 0.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1611 -0.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3997 -3.2279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6949 -0.9444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4999 -0.1818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1342 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2349 -0.9814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4466 -1.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8648 -0.4593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6781 -0.6445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0213 -0.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1331 -0.2618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7580 -0.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6673 -1.6850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8009 0.4574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3233 2.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9988 1.9395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8010 1.1849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0029 0.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3274 0.8214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5252 1.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4799 2.9657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9989 2.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9209 2.1495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6401 0.9391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2030 2.5513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1923 3.2899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5916 2.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7311 -2.3864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8259 -3.2899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1188 0.1189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1331 -0.4667 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
3 18 1 0 0 0 0
19 1 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
25 26 1 0 0 0 0
20 27 1 0 0 0 0
21 28 1 0 0 0 0
22 29 1 0 0 0 0
30 26 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
34 30 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
23 19 1 0 0 0 0
36 39 1 0 0 0 0
35 40 1 0 0 0 0
41 42 2 0 0 0 0
41 43 1 0 0 0 0
41 39 1 0 0 0 0
44 45 1 0 0 0 0
2 44 1 0 0 0 0
46 47 1 0 0 0 0
15 46 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 44 45
M SBL 1 1 49
M SMT 1 ^ OCH3
M SBV 1 49 0.6910 0.2660
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 46 47
M SBL 2 1 51
M SMT 2 OCH3
M SBV 2 51 -0.6524 -0.3767
S SKP 5
ID FL3FEAGS0035
FORMULA C31H36O16
EXACTMASS 664.200335104
AVERAGEMASS 664.60794
SMILES c(c41)(OC(c(c5)ccc(OC)c5)=CC4=O)cc(OC(C(O)3)OC(C(O)C3O)COC(C(O)2)OC(C)C(O)C(OC(C)=O)2)c(OC)c(O)1
M END
