Mol:FL5FACGL0072
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
66 72 0 0 0 0 0 0 0 0999 V2000
-3.1562 0.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1562 -0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4415 -0.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7267 -0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7267 0.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4415 0.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0120 -0.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2973 -0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2973 0.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0120 0.9541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0120 -1.3400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4171 0.9540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1454 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8739 0.9540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8739 1.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1454 2.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4171 1.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7881 0.9540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6021 2.2154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2090 -0.7835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4415 -1.5215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1454 3.0564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7234 -3.1850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0244 -2.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0113 -2.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3622 -1.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4581 -1.8581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3857 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6588 -3.9603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1172 -3.5747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7373 -1.9312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6747 -2.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8820 -2.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5995 -3.1474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0014 -3.8682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7943 -3.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0767 -3.2572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9059 -3.2945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1700 -4.2448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7482 -1.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2303 -2.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3808 -0.8530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4228 -1.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7145 -0.9843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2974 -0.9843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6478 -1.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3488 -1.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6993 -0.9843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3488 -0.3772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6478 -0.3772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3988 -0.9843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3115 2.0080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5819 1.5867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8134 2.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5819 3.2118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3115 3.6332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0801 2.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0568 4.2448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5776 3.7606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2962 1.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0825 -2.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2392 -3.4888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5969 3.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5500 2.4468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4942 -2.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5500 -2.1641 0.0000 C 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
15 19 1 0 0 0 0
8 20 1 0 0 0 0
3 21 1 0 0 0 0
16 22 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 28 1 0 0 0 0
28 23 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 31 1 0 0 0 0
26 20 1 0 0 0 0
32 33 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 32 1 0 0 0 0
37 38 1 0 0 0 0
36 39 1 0 0 0 0
33 31 1 0 0 0 0
40 41 1 0 0 0 0
41 32 1 0 0 0 0
40 42 2 0 0 0 0
40 43 1 0 0 0 0
43 44 2 0 0 0 0
44 45 1 0 0 0 0
45 46 2 0 0 0 0
46 47 1 0 0 0 0
47 48 2 0 0 0 0
48 49 1 0 0 0 0
49 50 2 0 0 0 0
50 45 1 0 0 0 0
48 51 1 0 0 0 0
53 52 1 1 0 0 0
53 54 1 0 0 0 0
54 55 1 0 0 0 0
55 56 1 0 0 0 0
56 57 1 1 0 0 0
57 52 1 1 0 0 0
56 58 1 0 0 0 0
55 59 1 0 0 0 0
54 60 1 0 0 0 0
18 53 1 0 0 0 0
61 62 1 0 0 0 0
28 61 1 0 0 0 0
63 64 1 0 0 0 0
57 63 1 0 0 0 0
65 66 1 0 0 0 0
47 65 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 0.6969 0.2753
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 0.5167 -0.4853
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 65 66
M SBL 3 1 72
M SMT 3 OCH3
M SBV 3 72 -0.1454 0.4802
S SKP 5
ID FL5FACGL0072
FORMULA C42H46O24
EXACTMASS 934.2379024
AVERAGEMASS 934.8002399999999
SMILES C(C7O)(C(OCC7O)OC(C2OC(C(=O)4)=C(Oc(c5)c4c(cc5OC(C(O)6)OC(C(O)C6O)CO)O)c(c3)ccc(O)c3O)C(C(O)C(O2)CO)O)OC(C=Cc(c1)cc(c(O)c1)OC)=O
M END
