Mol:FL5FACGA0042
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
65 71 0 0 0 0 0 0 0 0999 V2000
-1.8707 1.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8707 0.3558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1562 -0.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4417 0.3558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4417 1.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1562 1.5932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2727 -0.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9872 0.3558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9872 1.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2727 1.5932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2727 -0.6999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8867 1.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6149 1.3316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3431 1.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3431 2.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6149 3.0133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8867 2.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1562 -0.8814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1224 3.0428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5330 1.7635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6149 3.8538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7955 -0.1109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4102 -1.1409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6996 -0.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9251 -1.5195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6996 -2.3132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4102 -2.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1848 -1.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3311 -0.3596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0755 -2.6528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8357 -3.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0303 -3.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6442 -3.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4302 -3.1050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6442 -2.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0303 -1.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1837 -2.7109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1952 -1.3681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5837 -1.7431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4011 -2.3022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5988 -3.4535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4530 -3.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0687 -2.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8768 -2.6610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0557 -1.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7044 -2.3252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7428 -0.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7428 -0.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4700 0.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4700 1.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7428 1.5205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0156 1.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0156 0.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7428 2.3585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9764 1.8305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4997 1.2012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8133 1.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1508 1.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6322 1.9567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2327 1.6398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4700 1.6131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0765 1.2462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2123 0.9922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8035 2.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7802 1.9162 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
16 21 1 0 0 0 0
22 8 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
23 29 1 0 0 0 0
27 30 1 0 0 0 0
26 31 1 0 0 0 0
24 22 1 0 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 36 1 0 0 0 0
36 37 1 1 0 0 0
37 32 1 1 0 0 0
36 38 1 0 0 0 0
35 39 1 0 0 0 0
37 40 1 0 0 0 0
32 41 1 0 0 0 0
33 42 1 0 0 0 0
42 31 1 0 0 0 0
43 44 2 0 0 0 0
43 45 1 0 0 0 0
30 43 1 0 0 0 0
28 46 1 0 0 0 0
45 47 2 0 0 0 0
47 48 1 0 0 0 0
48 49 2 0 0 0 0
49 50 1 0 0 0 0
50 51 2 0 0 0 0
51 52 1 0 0 0 0
52 53 2 0 0 0 0
53 48 1 0 0 0 0
51 54 1 0 0 0 0
55 56 1 1 0 0 0
56 57 1 1 0 0 0
58 57 1 1 0 0 0
58 59 1 0 0 0 0
59 60 1 0 0 0 0
60 55 1 0 0 0 0
55 61 1 0 0 0 0
56 62 1 0 0 0 0
57 63 1 0 0 0 0
58 20 1 0 0 0 0
64 65 1 0 0 0 0
60 64 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 64 65
M SBL 1 1 71
M SMT 1 ^CH2OH
M SBV 1 71 0.5708 -0.5507
S SKP 5
ID FL5FACGA0042
FORMULA C42H46O23
EXACTMASS 918.242987778
AVERAGEMASS 918.8008399999999
SMILES c(c7O)cc(cc7)C=CC(=O)OC(C(COC(O6)C(C(O)C(C6C)O)O)1)C(O)C(C(OC(C(=O)3)=C(Oc(c4)c3c(O)cc4OC(C(O)5)OC(CO)C(O)C(O)5)c(c2)ccc(O)c2O)O1)O
M END
