Mol:FL5FAAGA0013
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
53 58 0 0 0 0 0 0 0 0999 V2000
-3.0379 1.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0379 0.8785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3368 0.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6356 0.8785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6356 1.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3368 2.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9344 0.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2333 0.8785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2333 1.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9344 2.0929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9344 -0.1575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4676 2.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1823 1.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8968 2.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8968 2.9180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1823 3.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4676 2.9180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3368 -0.3356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7388 2.0928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6113 3.3304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5889 0.4020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1065 -0.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6834 -1.6102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4971 -1.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3156 -1.6102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7388 -0.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9251 -1.1098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2610 -0.9716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6040 0.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1809 0.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9946 0.4609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8133 0.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2365 0.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4227 0.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9845 0.8730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7386 1.2046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1065 1.6794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4681 0.3699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6973 -0.1975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1879 -1.4178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9047 -1.9095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3170 -2.2844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6532 -2.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0504 -3.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6598 -2.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4410 -2.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7756 -2.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0845 -2.5727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2328 -3.0962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6164 -3.3305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5297 -2.8934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6641 -2.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9229 -2.2652 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
29 30 1 0 0 0 0
30 31 1 1 0 0 0
31 32 1 1 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 29 1 0 0 0 0
29 35 1 0 0 0 0
34 36 1 0 0 0 0
33 37 1 0 0 0 0
32 38 1 0 0 0 0
26 39 1 0 0 0 0
38 39 1 0 0 0 0
23 40 1 0 0 0 0
24 41 1 0 0 0 0
25 42 1 0 0 0 0
30 21 1 0 0 0 0
43 44 1 1 0 0 0
44 45 1 1 0 0 0
46 45 1 1 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
48 43 1 0 0 0 0
43 49 1 0 0 0 0
44 50 1 0 0 0 0
45 51 1 0 0 0 0
46 41 1 0 0 0 0
52 53 1 0 0 0 0
48 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 0.7486 -0.3724
S SKP 5
ID FL5FAAGA0013
FORMULA C33H40O20
EXACTMASS 756.21129372
AVERAGEMASS 756.6587
SMILES C(O1)(OCC(O3)C(O)C(C(O)C(OC(C5=O)=C(Oc(c6)c5c(O)cc6O)c(c4)ccc(O)c4)3)O)C(C(OC(C2O)OC(CO)C(C2O)O)C(C(C)1)O)O
M END
