Mol:FL5FFCGS0013
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
45 49 0 0 0 0 0 0 0 0999 V2000
-0.7565 -0.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7565 -1.4599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0419 -1.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6726 -1.4599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6726 -0.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0419 -0.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3871 -1.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1017 -1.4599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1017 -0.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3871 -0.2223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3871 -2.6890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0014 -0.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7296 -0.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4579 -0.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4579 0.7774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7296 1.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0014 0.7774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0419 -2.6972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0522 1.1205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3923 -0.2223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8252 -1.9858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0078 -0.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5209 -0.8521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8196 -0.5794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0887 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6346 -0.0803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3509 -0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6744 -0.4327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3361 -0.8363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1483 -1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3090 -1.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6750 -2.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9710 -2.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2627 -2.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8965 -1.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6006 -2.0145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1173 -1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1616 -2.3234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3376 -2.9383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2627 -3.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0419 0.3299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8029 0.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0522 0.7438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7296 1.9127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2965 3.0653 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
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
20 1 1 0 0 0 0
21 8 1 0 0 0 0
4 3 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
31 32 1 0 0 0 0
32 33 1 1 0 0 0
33 34 1 1 0 0 0
35 34 1 1 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 40 1 0 0 0 0
35 30 1 0 0 0 0
25 20 1 0 0 0 0
6 41 1 0 0 0 0
42 43 1 0 0 0 0
27 42 1 0 0 0 0
44 45 1 0 0 0 0
16 44 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 42 43
M SBL 1 1 47
M SMT 1 ^ CH2OH
M SBV 1 47 0.4520 -0.7828
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 44 45
M SBL 2 1 49
M SMT 2 OCH3
M SBV 2 49 0.0000 -0.7148
S SKP 5
ID FL5FFCGS0013
FORMULA C28H32O17
EXACTMASS 640.163949598
AVERAGEMASS 640.54348
SMILES c(c5)(c(OC)cc(c5)C(=C1O)Oc(c2O)c(c(O)cc2OC(C(OC(O4)C(C(C(C4C)O)O)O)3)OC(CO)C(C(O)3)O)C1=O)O
M END
