Mol:FL5FAAGA0023
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
53 58 0 0 0 0 0 0 0 0999 V2000
-1.0308 1.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0308 0.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3162 -0.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3982 0.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3982 1.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3162 1.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1126 -0.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8270 0.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8270 1.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1126 1.6386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1140 -0.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5412 1.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2692 1.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9974 1.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9974 2.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2692 2.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5412 2.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7448 1.6385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7253 2.8996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3331 -0.0982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3162 -0.8358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5319 1.8533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0112 1.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2614 1.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4800 1.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0636 1.9912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8296 1.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1381 1.6630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7900 1.1774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5830 0.9825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0932 -1.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6621 -2.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4912 -1.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3251 -2.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7564 -1.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9273 -1.6624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3777 -1.4733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5972 0.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1661 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9952 -0.0911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8292 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2604 0.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4313 0.1818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7772 0.2852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7328 0.6480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0990 1.1214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5606 -0.2277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6827 -0.8263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0837 -2.0185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9726 -2.6228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3251 -2.8997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5034 2.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7564 2.6139 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
15 19 1 0 0 0 0
8 20 1 0 0 0 0
3 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
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 18 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
38 39 1 0 0 0 0
39 40 1 1 0 0 0
40 41 1 1 0 0 0
42 41 1 1 0 0 0
42 43 1 0 0 0 0
43 38 1 0 0 0 0
38 44 1 0 0 0 0
43 45 1 0 0 0 0
42 46 1 0 0 0 0
41 47 1 0 0 0 0
35 48 1 0 0 0 0
47 48 1 0 0 0 0
32 49 1 0 0 0 0
33 50 1 0 0 0 0
34 51 1 0 0 0 0
39 20 1 0 0 0 0
52 53 1 0 0 0 0
27 52 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 52 53
M SBL 1 1 58
M SMT 1 ^ CH2OH
M SBV 1 58 0.6738 -0.6165
S SKP 5
ID FL5FAAGA0023
FORMULA C33H40O20
EXACTMASS 756.21129372
AVERAGEMASS 756.6587
SMILES C(=C(c(c6)ccc(c6)O)1)(OC(O4)C(O)C(C(C4COC(O5)C(C(C(O)C5C)O)O)O)O)C(c(c3O)c(cc(c3)OC(C(O)2)OC(CO)C(O)C2O)O1)=O
M END
