Mol:FL5FFCGS0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
-0.0388 -0.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0388 -1.1403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6757 -1.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3902 -1.1403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3902 -0.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6757 0.0973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1047 -1.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8192 -1.1403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8192 -0.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1047 0.0973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1061 -2.3418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7190 0.2561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4472 -0.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1754 0.2561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1754 1.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4472 1.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7190 1.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6757 -2.3775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9549 1.5470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8923 0.1775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4940 -1.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4472 2.3581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6757 0.9221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2544 0.3635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5799 -0.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7938 0.7230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5799 1.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2544 1.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0405 1.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9670 2.3775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6197 2.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7077 1.5877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7817 0.2919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2962 1.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8194 1.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1329 1.3003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4705 1.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9519 1.7890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5525 1.4720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9549 1.3834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4994 1.0783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4701 0.8242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0628 2.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0393 1.7498 0.0000 O 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
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 15 1 0 0 0 0
4 3 1 0 0 0 0
1 20 1 0 0 0 0
21 8 1 0 0 0 0
16 22 1 0 0 0 0
6 23 1 0 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 28 1 0 0 0 0
28 29 1 1 0 0 0
29 24 1 1 0 0 0
28 30 1 0 0 0 0
27 31 1 0 0 0 0
29 32 1 0 0 0 0
24 33 1 0 0 0 0
25 20 1 0 0 0 0
34 35 1 1 0 0 0
35 36 1 1 0 0 0
37 36 1 1 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
39 34 1 0 0 0 0
34 40 1 0 0 0 0
35 41 1 0 0 0 0
36 42 1 0 0 0 0
37 32 1 0 0 0 0
43 44 1 0 0 0 0
39 43 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 43 44
M SBL 1 1 48
M SMT 1 ^CH2OH
M SBV 1 48 0.5103 -0.5520
S SKP 5
ID FL5FFCGS0008
FORMULA C27H30O17
EXACTMASS 626.148299534
AVERAGEMASS 626.5169000000001
SMILES C(C4O)(C)OC(C(C4OC(O5)C(O)C(O)C(O)C5CO)O)Oc(c(O)1)cc(c(C(=O)2)c1OC(c(c3)ccc(c(O)3)O)=C(O)2)O
M END
