Mol:FL7AACGL0083
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
47 51 0 0 0 0 0 0 0 0999 V2000
-3.3571 2.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3571 1.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6427 0.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9283 1.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9283 2.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6427 2.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2139 0.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4994 1.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4994 2.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2139 2.6161 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.2147 2.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9429 2.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6711 2.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6711 3.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9429 3.8771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2147 3.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0713 2.6159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3990 3.8769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6427 0.1415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2838 0.8641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6701 -0.2859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0190 0.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2881 -0.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0369 -1.4525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6701 -1.8607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4458 -1.0757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6678 0.4198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9880 -1.5666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4230 -2.4254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0712 -2.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5277 0.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9175 -0.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6994 -0.0598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4065 -0.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9840 0.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2844 0.2019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2898 -0.0440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3464 -0.6119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0713 0.0129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9429 4.7176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7035 -3.3807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0646 -3.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8383 -3.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0646 -4.7176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5941 -3.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2252 -3.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5941 -4.6860 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 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
26 28 1 0 0 0 0
25 29 1 0 0 0 0
24 30 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 36 1 0 0 0 0
36 31 1 0 0 0 0
32 37 1 0 0 0 0
33 38 1 0 0 0 0
34 39 1 0 0 0 0
27 31 1 0 0 0 0
22 20 1 0 0 0 0
15 40 1 0 0 0 0
30 41 1 0 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
42 44 2 0 0 0 0
45 46 2 0 0 0 0
45 47 1 0 0 0 0
43 45 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 45 46 47
M SBL 1 1 51
M SMT 1 ^ COOH
M SBV 1 51 0.7558 0.4363
S SKP 5
ID FL7AACGL0083
FORMULA C29H31O18
EXACTMASS 667.151039188
AVERAGEMASS 667.54564
SMILES OC(C5O)C(O)C(OC5)OC(C4O)C(OC(C4O)COC(CC(O)=O)=O)Oc(c2c(c3)ccc(c3O)O)cc(c1[o+1]2)c(cc(c1)O)O
M END
