Mol:FL3FAACS0061
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
53 58 0 0 0 0 0 0 0 0999 V2000
-0.7920 -0.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7920 -1.6877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0775 -2.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6370 -1.6877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6370 -0.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0775 -0.4503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3514 -2.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0659 -1.6877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0659 -0.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3514 -0.4503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3528 -2.9718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3604 -0.4106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4419 1.9461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4737 1.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3352 0.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0665 0.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7462 0.4291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7782 1.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4638 2.9272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7925 2.5174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7164 0.4361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0775 -2.9249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8595 -0.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6124 -0.8586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3653 -0.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3653 0.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6124 0.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8595 0.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1176 0.8799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9158 1.6787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8175 0.8954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0896 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5124 0.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6886 1.1159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3672 1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6693 1.7486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4573 1.3168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7891 0.0754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3948 0.5518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0972 -0.1794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3651 -0.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7234 -0.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0637 0.3259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7259 0.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1176 0.4291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7389 -0.0153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7982 -0.8051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0756 0.8964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2290 -0.0690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4780 2.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0301 2.9718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6553 1.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1851 0.6377 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
13 14 1 1 0 0 0
14 15 1 1 0 0 0
16 15 1 1 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 13 1 0 0 0 0
13 19 1 0 0 0 0
14 20 1 0 0 0 0
15 21 1 0 0 0 0
6 16 1 0 0 0 0
3 22 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 23 1 0 0 0 0
23 9 1 0 0 0 0
26 29 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 35 1 0 0 0 0
35 30 1 0 0 0 0
30 36 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 21 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 44 1 0 0 0 0
44 39 1 0 0 0 0
39 45 1 0 0 0 0
40 46 1 0 0 0 0
42 38 1 0 0 0 0
41 47 1 0 0 0 0
48 49 1 0 0 0 0
44 48 1 0 0 0 0
50 51 1 0 0 0 0
35 50 1 0 0 0 0
52 53 1 0 0 0 0
18 52 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 48 49
M SBL 1 1 54
M SMT 1 ^ CH2OH
M SBV 1 54 0.3497 -0.7212
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 50 51
M SBL 2 1 56
M SMT 2 ^ CH2OH
M SBV 2 56 0.1108 -0.8698
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 52 53
M SBL 3 1 58
M SMT 3 CH2OH
M SBV 3 58 -0.8771 -0.2874
S SKP 5
ID FL3FAACS0061
FORMULA C33H40O20
EXACTMASS 756.21129372
AVERAGEMASS 756.6587
SMILES OC(C(CO)1)C(C(O)C(OC(C(O)2)C(OC(C(c(c6O)c(O4)c(c(O)c6)C(=O)C=C4c(c5)ccc(O)c5)3)C(O)C(O)C(O3)CO)OC(CO)C(O)2)O1)O
M END
