Mol:FL5FACGA0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
-4.0801 1.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0801 0.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3737 -0.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6674 0.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6674 1.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3737 1.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9610 -0.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2546 0.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2546 1.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9610 1.5099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9610 -0.7573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5485 1.5097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1713 1.0941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8913 1.5097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8913 2.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1713 2.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5485 2.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7862 1.5097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3737 -0.9367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5062 2.8704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5485 -0.1213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1713 3.5877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1393 -1.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6466 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3973 -1.6752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6466 -2.5532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1393 -3.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1099 -2.1343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0387 -0.5798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4520 -2.4538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8982 -2.8781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5949 -2.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1567 -3.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9655 -2.8968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7139 -3.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1795 -2.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4712 -2.6947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5298 -3.2143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5245 -3.4849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2375 -2.8096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5356 -3.5877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2764 -2.8470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8791 -2.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7862 -2.8299 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
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
3 19 1 0 0 0 0
20 15 1 0 0 0 0
8 21 1 0 0 0 0
16 22 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
23 29 1 0 0 0 0
28 30 1 0 0 0 0
27 31 1 0 0 0 0
24 21 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 37 1 0 0 0 0
37 32 1 0 0 0 0
33 38 1 0 0 0 0
34 39 1 0 0 0 0
31 32 1 0 0 0 0
35 40 1 0 0 0 0
41 42 1 0 0 0 0
26 41 1 0 0 0 0
43 44 1 0 0 0 0
36 43 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 CH2OH
M SBV 1 46 -0.1110 1.0345
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 43 44
M SBL 2 1 48
M SMT 2 CH2OH
M SBV 2 48 -0.6995 -0.1365
S SKP 5
ID FL5FACGA0007
FORMULA C27H30O17
EXACTMASS 626.148299534
AVERAGEMASS 626.5169000000001
SMILES c(c(O)5)cc(cc5O)C(=C1OC(C(O)3)OC(C(OC(O4)C(O)C(O)C(O)C4CO)C3O)CO)Oc(c2)c(c(O)cc2O)C1=O
M END
