Mol:FLIA1AGS0012
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
40 44 0 0 0 0 0 0 0 0999 V2000
-1.2946 0.9815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5738 1.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1467 0.9817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1467 0.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8939 -0.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6412 0.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6412 0.9817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8939 1.4131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2946 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5738 -0.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8939 -1.0263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3880 -0.3123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3880 -1.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1023 -1.5496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8168 -1.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8168 -0.3123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1023 0.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9688 1.3706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6964 1.2296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0687 0.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4004 0.8783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6304 0.8013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2242 1.3539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9069 1.1088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3343 1.0551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8112 0.7126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6655 0.2340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0345 -0.4784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3629 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5444 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9384 -0.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0485 0.0121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5444 -1.5186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3599 -1.5103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5708 -1.5725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4966 -2.1070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4120 1.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3808 2.1070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3641 -0.4195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4966 -0.1417 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 1 0 0 0 0
6 7 2 0 0 0 0
7 8 1 0 0 0 0
8 3 1 0 0 0 0
1 9 1 0 0 0 0
9 10 2 0 0 0 0
10 4 1 0 0 0 0
5 11 2 0 0 0 0
6 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 20 1 1 0 0 0
20 21 1 1 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
18 22 1 0 0 0 0
28 29 1 1 0 0 0
29 30 1 1 0 0 0
31 30 1 1 0 0 0
31 32 1 0 0 0 0
32 28 1 0 0 0 0
30 33 1 0 0 0 0
31 27 1 0 0 0 0
29 34 1 0 0 0 0
35 36 1 0 0 0 0
15 35 1 0 0 0 0
37 38 1 0 0 0 0
24 37 1 0 0 0 0
39 40 1 0 0 0 0
29 39 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 35 36
M SBL 1 1 40
M SMT 1 OCH3
M SBV 1 40 -0.7540 0.4353
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 37 38
M SBL 2 1 42
M SMT 2 ^ CH2OH
M SBV 2 42 0.5051 -0.5464
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 39 40
M SBL 3 1 44
M SMT 3 CH2OH
M SBV 3 44 0.0012 -0.5181
S SKP 5
ID FLIA1AGS0012
FORMULA C27H30O13
EXACTMASS 562.168641046
AVERAGEMASS 562.5193
SMILES O(C(C(OC(O5)C(O)C(O)(C5)CO)4)OC(CO)C(C4O)O)c(c3)cc(c1c3)OC=C(c(c2)ccc(OC)c2)C1=O
M END
