Mol:FL5FACGL0022
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
54 59 0 0 0 0 0 0 0 0999 V2000
-3.1069 1.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1069 0.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4057 -0.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7044 0.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7044 1.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4057 1.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0032 -0.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3020 0.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3020 1.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0032 1.5171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0032 -0.7336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3990 1.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1137 1.1043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8282 1.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8282 2.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1137 2.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3990 2.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8079 1.5170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4850 -0.1685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4057 -0.9117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1472 -1.5504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7241 -2.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5379 -2.0507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3566 -2.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7798 -1.5504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9659 -1.7828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4246 -1.6593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5122 0.3395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0891 -0.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9029 -0.1608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7216 -0.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1449 0.3395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3309 0.1070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8516 0.2307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8944 0.7479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8079 0.1715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4163 -0.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6056 -0.8605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0947 -2.0815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9029 -2.7256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3579 -2.9781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6274 2.8035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1137 3.5798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8280 -2.6954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2914 -3.4038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4814 -3.1032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2270 -3.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6852 -2.5532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0091 -2.9100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4651 -2.8589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0648 -3.3015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2554 -3.5798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5719 -2.3061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5764 -2.0370 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
8 19 1 0 0 0 0
3 20 1 0 0 0 0
21 22 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 21 1 0 0 0 0
21 27 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 1 0 0 0
30 31 1 1 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 28 1 0 0 0 0
28 34 1 0 0 0 0
33 35 1 0 0 0 0
32 36 1 0 0 0 0
31 37 1 0 0 0 0
25 38 1 0 0 0 0
37 38 1 0 0 0 0
22 39 1 0 0 0 0
23 40 1 0 0 0 0
24 41 1 0 0 0 0
29 19 1 0 0 0 0
42 15 1 0 0 0 0
16 43 1 0 0 0 0
44 45 1 1 0 0 0
45 46 1 1 0 0 0
47 46 1 1 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
49 44 1 0 0 0 0
44 50 1 0 0 0 0
45 51 1 0 0 0 0
46 52 1 0 0 0 0
47 40 1 0 0 0 0
53 54 1 0 0 0 0
49 53 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 53 54
M SBL 1 1 59
M SMT 1 ^CH2OH
M SBV 1 59 0.5810 -0.6039
S SKP 5
ID FL5FACGL0022
FORMULA C33H40O21
EXACTMASS 772.206208342
AVERAGEMASS 772.6581
SMILES c(c21)(OC(c(c6)ccc(O)c6O)=C(OC(O3)C(O)C(C(C3COC(O4)C(C(OC(C5O)OC(CO)C(C5O)O)C(C(C)4)O)O)O)O)C2=O)cc(cc1O)O
M END
