Mol:FL5FAAGL0043
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
52 57 0 0 0 0 0 0 0 0999 V2000
-1.7954 0.8926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7954 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0944 -0.3215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3934 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3934 0.8926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0944 1.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3076 -0.3215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0086 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0086 0.8926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3076 1.2974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3076 -0.9526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7094 1.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4239 0.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1384 1.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1384 2.1223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4239 2.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7094 2.1223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0944 -1.1306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4962 1.2973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8527 2.5346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8161 -0.4082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4991 -1.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6530 -1.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9215 -1.9665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6530 -2.9116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4991 -3.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2307 -2.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2987 -0.8366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8814 -2.9932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3888 -3.8473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6044 -1.8296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5187 -1.8296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8616 -1.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6371 -0.3026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7228 -0.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3799 -0.9382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3250 -0.6192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1600 -2.3851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7096 -2.5425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6418 -1.4429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0216 1.5894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2298 1.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4811 2.0112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2298 2.8956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0216 3.3528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7704 2.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7791 3.9082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2932 3.5058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4193 3.0138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7096 1.5944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6404 -3.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3806 -3.8812 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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
15 20 1 0 0 0 0
8 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
27 29 1 0 0 0 0
26 30 1 0 0 0 0
23 21 1 0 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 1 0 0 0
36 31 1 1 0 0 0
36 37 1 0 0 0 0
31 38 1 0 0 0 0
32 39 1 0 0 0 0
33 40 1 0 0 0 0
35 28 1 0 0 0 0
42 41 1 1 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 1 0 0 0
46 41 1 1 0 0 0
45 47 1 0 0 0 0
44 48 1 0 0 0 0
46 49 1 0 0 0 0
41 50 1 0 0 0 0
42 19 1 0 0 0 0
51 52 1 0 0 0 0
25 51 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 51 52
M SBL 1 1 57
M SMT 1 ^ CH2OH
M SBV 1 57 0.0125 0.9966
S SKP 5
ID FL5FAAGL0043
FORMULA C33H40O19
EXACTMASS 740.216379098
AVERAGEMASS 740.6593
SMILES C(O6)(C(C(O)C(O)C6CO)OC(O5)C(O)C(O)C(O)C5C)OC(C3=O)=C(c(c4)ccc(O)c4)Oc(c31)cc(OC(C2O)OC(C)C(C2O)O)cc1O
M END
