Mol:FL5FAAGL0059
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
64 70 0 0 0 0 0 0 0 0999 V2000
-1.1210 1.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1210 0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4199 -0.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2813 0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2813 1.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4199 1.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9824 -0.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6835 0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6835 1.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9824 1.5185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9824 -0.7317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3843 1.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0988 1.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8134 1.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8134 2.3435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0988 2.7560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3843 2.3435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8218 1.5184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4909 -0.1254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4199 -0.9098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2149 -1.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7918 -2.2813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6055 -2.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4240 -2.2813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8471 -1.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0335 -1.7809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5428 -1.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4974 0.3825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0743 -0.3504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8880 -0.1179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7066 -0.3504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1297 0.3825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3160 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7955 0.3149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8174 0.7288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7906 0.1955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3393 -0.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7968 -0.8175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2013 -2.1216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1974 -2.6822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4240 -2.9952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6123 2.8048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6366 1.6589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0985 0.9487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3237 1.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5760 1.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1194 1.8014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9108 1.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2353 1.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6414 0.9498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5058 0.7288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0794 -1.4618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7574 -0.7013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9364 -1.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4159 -0.3991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7724 -0.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5147 0.1808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0580 -0.4611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4380 -1.3749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5529 -0.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5565 2.0593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7125 2.9952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8429 -0.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8471 -0.5260 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 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
42 15 1 0 0 0 0
43 44 1 1 0 0 0
44 45 1 1 0 0 0
46 45 1 1 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
48 43 1 0 0 0 0
43 49 1 0 0 0 0
44 50 1 0 0 0 0
45 51 1 0 0 0 0
53 54 1 1 0 0 0
54 55 1 1 0 0 0
56 55 1 1 0 0 0
56 57 1 0 0 0 0
57 58 1 0 0 0 0
58 53 1 0 0 0 0
54 59 1 0 0 0 0
55 60 1 0 0 0 0
52 53 1 0 0 0 0
56 51 1 0 0 0 0
46 18 1 0 0 0 0
61 62 1 0 0 0 0
48 61 1 0 0 0 0
63 64 1 0 0 0 0
58 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 0.6457 -0.5421
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 0.7849 -0.2041
S SKP 5
ID FL5FAAGL0059
FORMULA C39H50O25
EXACTMASS 918.26411715
AVERAGEMASS 918.7993
SMILES Oc(c34)cc(cc3OC(c(c7)ccc(O)c7)=C(OC(O5)C(C(C(C5COC(O6)C(O)C(C(C6C)O)O)O)O)O)C4=O)OC(O2)C(C(C(O)C2CO)O)OC(C(O)1)OC(C(O)C1O)CO
M END
