Mol:FL5FAAGS0081
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
53 58 0 0 0 0 0 0 0 0999 V2000
2.8300 2.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8300 1.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5445 1.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2589 1.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2589 2.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5445 2.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1156 1.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4011 1.6546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6867 1.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6867 0.4171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4011 0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1156 0.4171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0278 1.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7423 1.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7423 0.4171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0278 0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4011 -0.7137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4566 1.6546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9088 -0.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8596 2.8263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0278 -0.6949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1656 -2.2754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9880 -2.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1391 -1.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6825 -0.7743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8601 -0.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7089 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9686 -1.5415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3407 -1.9015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8707 -2.0113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5551 -2.8920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9713 -1.2245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2675 -1.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8548 -2.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0565 -2.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2630 -2.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6756 -1.5631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4740 -1.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8949 -1.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5384 -1.2035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7685 -1.7014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5084 -2.1468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5254 -2.6923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8045 -0.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6236 0.0817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1052 -0.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9864 -1.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1673 -1.4782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6857 -0.8359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5488 -1.5495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8596 -0.3518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5266 0.7130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0228 0.5345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
5 20 1 0 0 0 0
16 21 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
27 28 1 0 0 0 0
28 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 19 1 0 0 0 0
33 34 1 1 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
33 41 1 0 0 0 0
34 42 1 0 0 0 0
35 43 1 0 0 0 0
36 29 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 1 0 0 0
47 46 1 1 0 0 0
48 47 1 1 0 0 0
48 49 1 0 0 0 0
49 44 1 0 0 0 0
47 50 1 0 0 0 0
46 51 1 0 0 0 0
45 52 1 0 0 0 0
44 53 1 0 0 0 0
48 40 1 0 0 0 0
S SKP 5
ID FL5FAAGS0081
FORMULA C33H40O20
EXACTMASS 756.21129372
AVERAGEMASS 756.6587
SMILES c(c6)c(ccc(O)6)C(O5)=C(C(c(c45)c(O)cc(c4)O)=O)OC(C1O)OC(COC(C(O)3)OC(C(O)C3O)COC(O2)C(O)C(C(O)C(C)2)O)C(O)C1O
M END
