Mol:FL5FADGL0023
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
53 58 0 0 0 0 0 0 0 0999 V2000
-1.9924 0.0867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9924 -0.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2778 -1.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5633 -0.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5633 0.0867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2778 0.4992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1514 -1.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8659 -0.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8659 0.0867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1514 0.4992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1514 -1.7943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5593 0.5136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2876 0.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0159 0.5136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0159 1.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2876 1.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5593 1.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2778 -1.8182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7482 1.7773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8459 0.5795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6850 -1.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6275 -0.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2412 -1.5064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9842 -1.2941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7317 -1.5064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1181 -0.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3751 -1.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0144 -0.8452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9660 -0.4207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9048 -1.0051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4828 -1.3221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9827 -1.9871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4082 -2.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0534 -3.0879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8578 -3.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3862 -2.5345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4041 -2.0772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0534 -3.6668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8578 -3.6685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2698 0.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5952 0.3613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8093 1.1102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5952 1.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2698 2.2533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0558 1.5043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9747 2.8614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6059 2.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7438 1.9749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9827 0.7410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2876 2.5159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8545 3.6685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0534 -2.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2725 -1.5713 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
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
19 15 1 0 0 0 0
4 3 1 0 0 0 0
1 20 1 0 0 0 0
21 8 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
25 31 1 0 0 0 0
23 21 1 0 0 0 0
31 32 1 0 0 0 0
33 34 1 1 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 33 1 0 0 0 0
34 38 1 0 0 0 0
35 39 1 0 0 0 0
36 32 1 0 0 0 0
41 40 1 1 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 1 0 0 0
45 40 1 1 0 0 0
44 46 1 0 0 0 0
43 47 1 0 0 0 0
45 48 1 0 0 0 0
40 49 1 0 0 0 0
41 20 1 0 0 0 0
50 51 1 0 0 0 0
16 50 1 0 0 0 0
52 53 1 0 0 0 0
34 52 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 50 51
M SBL 1 1 56
M SMT 1 OCH3
M SBV 1 56 0.0000 -0.7408
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 52 53
M SBL 2 1 58
M SMT 2 CH2OH
M SBV 2 58 0.0000 -0.4967
S SKP 5
ID FL5FADGL0023
FORMULA C33H40O20
EXACTMASS 756.21129372
AVERAGEMASS 756.6587
SMILES OCC(C6)(C(O)C(O6)OCC(C(O)5)OC(C(O)C5O)OC(C(=O)1)=C(c(c4)cc(c(O)c4)OC)Oc(c2)c1c(O)cc2OC(O3)C(O)C(O)C(C3C)O)O
M END
