Mol:FL3FAADS0014
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
52 57 0 0 0 0 0 0 0 0999 V2000
-4.0425 -0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0425 -1.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3277 -2.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6130 -1.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6130 -0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3277 -0.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8983 -2.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1835 -1.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1835 -0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8983 -0.3957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8983 -2.6898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7570 -0.3959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3277 -2.8714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3895 -0.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3636 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1169 -0.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1169 0.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3636 0.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3895 0.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8697 0.9350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1610 2.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0936 1.8311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0738 0.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3457 0.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5826 0.5037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6971 1.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2891 2.8454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8624 2.4665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8021 0.3931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0767 1.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5756 0.4362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5207 1.2134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0616 1.8485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5626 2.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6177 1.6683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0551 2.8714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8953 2.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0025 2.2175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6645 1.0845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9847 1.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5981 0.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3413 1.1052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0891 0.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4757 1.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7325 1.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3714 1.4303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2548 1.8723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0067 1.4200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1142 1.6073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4329 0.7954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7466 0.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6645 0.3628 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
1 12 1 0 0 0 0
3 13 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 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
14 9 1 0 0 0 0
17 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
6 24 1 0 0 0 0
31 30 1 1 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 1 0 0 0
35 30 1 1 0 0 0
34 36 1 0 0 0 0
33 37 1 0 0 0 0
35 38 1 0 0 0 0
30 39 1 0 0 0 0
31 29 1 0 0 0 0
40 41 1 0 0 0 0
41 42 1 1 0 0 0
42 43 1 1 0 0 0
44 43 1 1 0 0 0
44 45 1 0 0 0 0
45 40 1 0 0 0 0
40 46 1 0 0 0 0
45 47 1 0 0 0 0
44 48 1 0 0 0 0
41 20 1 0 0 0 0
49 50 1 0 0 0 0
26 49 1 0 0 0 0
51 52 1 0 0 0 0
43 51 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 49 50
M SBL 1 1 55
M SMT 1 CH2OH
M SBV 1 55 -0.5829 -0.2718
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 51 52
M SBL 2 1 57
M SMT 2 CH2OH
M SBV 2 57 -0.6575 0.0000
S SKP 5
ID FL3FAADS0014
FORMULA C33H40O19
EXACTMASS 740.216379098
AVERAGEMASS 740.6593
SMILES O=C(C=4)c(c1OC(c(c5)ccc(OC(O6)C(O)C(C(O)C(CO)6)O)c5)4)c(cc(O)c1C(C2OC(C3O)OC(C(C(O)3)O)C)OC(C(C2O)O)CO)O
M END
