Mol:FL5FAEGL0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
54 59 0 0 0 0 0 0 0 0999 V2000
-1.9782 0.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9782 -0.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2672 -0.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5562 -0.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5562 0.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2672 0.8913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1548 -0.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8659 -0.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8659 0.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1548 0.8913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1548 -1.3909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5766 0.8912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3013 0.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0259 0.8912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0259 1.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3013 2.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5766 1.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6890 0.8912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5979 -0.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2672 -1.5715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2239 -2.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7948 -2.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6200 -2.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4501 -2.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8793 -2.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0540 -2.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5108 -2.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5849 -0.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1558 -1.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9810 -0.7685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8111 -1.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2403 -0.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4150 -0.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7689 -0.2904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9213 0.1314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7505 -0.3978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4136 -0.8819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7054 -1.3373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2213 -2.6571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0015 -3.2270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4501 -3.5218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3013 2.9829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2024 1.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3994 0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6542 1.5885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3994 2.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2024 2.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9476 2.0575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8950 3.5218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3994 3.0639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5242 2.4972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8793 1.1218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6932 2.1119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6063 1.5847 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
8 19 1 0 0 0 0
3 20 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 1 0 0 0
30 31 1 1 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 28 1 0 0 0 0
28 34 1 0 0 0 0
33 35 1 0 0 0 0
32 36 1 0 0 0 0
31 37 1 0 0 0 0
25 38 1 0 0 0 0
37 38 1 0 0 0 0
22 39 1 0 0 0 0
23 40 1 0 0 0 0
24 41 1 0 0 0 0
29 19 1 0 0 0 0
16 42 1 0 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 47 1 0 0 0 0
47 48 1 1 0 0 0
48 43 1 1 0 0 0
47 49 1 0 0 0 0
46 50 1 0 0 0 0
48 51 1 0 0 0 0
43 52 1 0 0 0 0
44 18 1 0 0 0 0
53 54 1 0 0 0 0
15 53 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 53 54
M SBL 1 1 59
M SMT 1 OCH3
M SBV 1 59 -0.6673 -0.3839
S SKP 5
ID FL5FAEGL0004
FORMULA C34H42O20
EXACTMASS 770.226943784
AVERAGEMASS 770.6852799999999
SMILES C(C(COC(C6O)OC(C)C(C6O)O)1)(C(C(O)C(OC(=C(c(c5)ccc(OC)c5O)4)C(c(c(O4)2)c(cc(OC(C3O)OC(C(C(O)3)O)C)c2)O)=O)O1)O)O
M END
