Mol:FL7AADGL0017
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
47 51 0 0 0 0 0 0 0 0999 V2000
-2.5658 0.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5658 -0.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8511 -0.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1364 -0.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1364 0.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8511 0.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4216 -0.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2931 -0.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2931 0.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4216 0.6624 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.0075 0.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7360 0.2418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4644 0.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4644 1.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7360 1.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0075 1.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2802 0.6623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1040 1.9176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8511 -1.8130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0160 -1.0297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2327 -1.8766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7558 -2.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0691 -2.2390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4064 -2.2319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8880 -1.7503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4887 -2.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7843 -2.0796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3696 -2.5431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4886 -2.6946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0921 -0.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5953 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3641 -1.3615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0635 -1.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5604 -1.1084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7916 -1.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5622 -0.7534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2827 -0.7650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1511 -1.3798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7254 -1.8676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5654 -2.6574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1696 -3.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1764 -3.6905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7843 -2.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7316 2.5377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2985 3.6905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0157 -1.5086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7624 -0.7565 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
1 17 1 0 0 0 0
14 18 1 0 0 0 0
3 19 1 0 0 0 0
20 8 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 19 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
30 36 1 0 0 0 0
35 37 1 0 0 0 0
34 38 1 0 0 0 0
33 39 1 0 0 0 0
20 31 1 0 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
41 42 2 0 0 0 0
41 43 1 0 0 0 0
44 45 1 0 0 0 0
15 44 1 0 0 0 0
46 47 1 0 0 0 0
26 46 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 44 45
M SBL 1 1 49
M SMT 1 OCH3
M SBV 1 49 0.0044 -0.6138
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 46 47
M SBL 2 1 51
M SMT 2 ^ CH2OH
M SBV 2 51 0.5270 -0.5587
S SKP 5
ID FL7AADGL0017
FORMULA C30H35O17
EXACTMASS 667.187424694
AVERAGEMASS 667.5887
SMILES c(c(O)5)cc(cc(OC)5)c([o+1]3)c(OC(O4)C(C(C(O)C4COC(C)=O)O)O)cc(c31)c(OC(O2)C(C(O)C(O)C2CO)O)cc(O)c1
M END
