Mol:FL5FAAGL0057
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
64 70 0 0 0 0 0 0 0 0999 V2000
-1.3904 1.7732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3904 0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6810 0.5446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0284 0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0284 1.7732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6810 2.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7378 0.5446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4472 0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4472 1.7732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7378 2.1828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7378 -0.0942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1563 2.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8794 1.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6024 2.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6024 3.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8794 3.4349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1563 3.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0995 2.1827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2400 0.5188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6810 -0.2743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4108 3.4843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5511 -0.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8079 -0.1256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0437 -0.9507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8079 -1.7808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5511 -2.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3153 -1.3848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6084 0.1157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8227 -1.8909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3317 -2.8380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0004 -2.3930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3132 0.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8773 -0.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6896 0.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4736 0.1493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9040 0.7191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1932 0.3439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2467 -0.1987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4453 -0.3531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9758 0.3920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8603 2.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3434 1.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5988 1.7824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8228 1.7738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4024 2.3122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1629 2.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6269 1.9228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1188 1.4678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8821 1.2711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2573 -3.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5439 -3.4843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2896 -2.5948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5439 -1.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2573 -1.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0032 -2.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0421 -0.6811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4599 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6605 -1.6052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0152 -3.1014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3885 -3.1765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7316 2.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9758 2.9080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6230 0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3839 2.1024 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
1 18 1 0 0 0 0
8 19 1 0 0 0 0
3 20 1 0 0 0 0
21 15 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 19 1 0 0 0 0
32 33 1 1 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
33 38 1 0 0 0 0
34 39 1 0 0 0 0
28 32 1 0 0 0 0
35 40 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 46 1 0 0 0 0
46 41 1 0 0 0 0
41 47 1 0 0 0 0
42 48 1 0 0 0 0
43 49 1 0 0 0 0
44 18 1 0 0 0 0
51 50 1 1 0 0 0
51 52 1 0 0 0 0
52 53 1 0 0 0 0
53 54 1 0 0 0 0
54 55 1 1 0 0 0
55 50 1 1 0 0 0
54 56 1 0 0 0 0
53 57 1 0 0 0 0
55 58 1 0 0 0 0
50 59 1 0 0 0 0
51 60 1 0 0 0 0
60 31 1 0 0 0 0
61 62 1 0 0 0 0
46 61 1 0 0 0 0
63 64 1 0 0 0 0
36 63 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 61 62
M SBL 1 1 68
M SMT 1 ^ CH2OH
M SBV 1 68 0.5687 -0.5895
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 63 64
M SBL 2 1 70
M SMT 2 CH2OH
M SBV 2 70 -0.7191 -0.1307
S SKP 5
ID FL5FAAGL0057
FORMULA C39H50O25
EXACTMASS 918.26411715
AVERAGEMASS 918.7993
SMILES C(O)C(O1)C(O)C(C(C1OC(C7O)C(OC(C7O)COC(O6)C(C(O)C(C6C)O)O)OC(=C4c(c5)ccc(O)c5)C(c(c(O4)2)c(cc(OC(C(O)3)OC(CO)C(O)C3O)c2)O)=O)O)O
M END
