Mol:FL5FDCGS0009
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
-1.5036 -0.7088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5036 -1.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7889 -1.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0742 -1.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0742 -0.7088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7889 -0.2961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6405 -1.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3552 -1.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3552 -0.7088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6405 -0.2961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6405 -2.5901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0697 -0.2963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7981 -0.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5266 -0.2963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5266 0.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7981 0.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0697 0.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1599 -0.3298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2283 0.9918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8036 1.5979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6496 2.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7479 1.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4761 1.8760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0536 1.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8773 2.2086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1986 2.2344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0959 2.7664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1250 2.2965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7768 1.1264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5579 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8831 -0.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0972 0.2679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8831 1.0216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5579 1.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3438 0.6620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2627 2.0609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8526 1.6139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9081 1.1120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2283 -0.1235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7889 -2.7716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1034 -1.9660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2161 -2.6082 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
1 18 1 0 0 0 0
19 15 1 0 0 0 0
16 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
20 24 1 0 0 0 0
31 30 1 1 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 1 0 0 0
35 30 1 1 0 0 0
34 36 1 0 0 0 0
33 37 1 0 0 0 0
35 38 1 0 0 0 0
30 39 1 0 0 0 0
31 18 1 0 0 0 0
3 40 1 0 0 0 0
41 42 1 0 0 0 0
8 41 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 41 42
M SBL 1 1 46
M SMT 1 OCH3
M SBV 1 46 -0.7482 0.4320
S SKP 5
ID FL5FDCGS0009
FORMULA C27H30O15
EXACTMASS 594.15847029
AVERAGEMASS 594.5181
SMILES c(C(=C(OC)3)Oc(c4)c(c(O)cc4OC(C(O)5)OC(C)C(O)C5O)C3=O)(c1)ccc(O)c1OC(O2)C(O)C(O)C(O)C2
M END
