Mol:FL5FACGL0040
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
54 59 0 0 0 0 0 0 0 0999 V2000
-1.6253 0.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6253 0.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9109 -0.3799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1964 0.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1964 0.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9109 1.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5180 -0.3799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2325 0.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2325 0.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5180 1.2701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5180 -1.0232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9467 1.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6748 0.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 1.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 2.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6748 2.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9467 2.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3395 1.2699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9256 -0.3857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9109 -1.2047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6019 -1.8974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1708 -2.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9999 -2.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8340 -2.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2652 -1.8974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4361 -2.1343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8012 -2.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0028 0.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5717 -0.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4008 -0.3979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2350 -0.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6661 0.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8370 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2859 0.0197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1783 0.4663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3045 -0.0516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9650 -0.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1929 -1.1139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6330 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4195 -3.0123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8340 -3.3717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2171 2.5808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6748 3.3717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9736 1.4227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4530 0.7353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7032 1.0270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9217 1.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5054 1.5606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2714 1.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7982 1.8783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3045 0.8183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1071 0.4900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4162 2.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4987 1.7657 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 18 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 0.1448 -1.0099
S SKP 5
ID FL5FACGL0040
FORMULA C33H40O21
EXACTMASS 772.206208342
AVERAGEMASS 772.6581
SMILES c(c5)(c(c(cc5OC(C(O)6)OC(CO)C(O)C6O)1)C(=O)C(OC(C(O)3)OC(COC(C4O)OC(C(C4O)O)C)C(O)C3O)=C(c(c2)ccc(O)c(O)2)O1)O
M END
