Mol:FL3FF8GS0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
36 39 0 0 0 0 0 0 0 0999 V2000
-1.7924 -1.7633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7924 -2.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0913 -3.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3903 -2.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3903 -1.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0913 -1.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3108 -3.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0119 -2.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0119 -1.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3108 -1.4226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3108 -3.7898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7127 -1.4227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4272 -1.8352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1416 -1.4227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1416 -0.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4272 -0.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7127 -0.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0913 -3.7251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5048 1.1829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2859 0.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0381 1.5992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2859 2.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5048 2.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7526 2.0555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7884 3.7898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2797 3.2673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6091 1.1745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0564 -0.1776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4272 -2.6602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3645 -1.4329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1416 -0.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0578 2.6357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0578 3.6615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8305 2.1228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0913 -0.7549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4725 0.6709 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
3 18 1 0 0 0 0
20 19 1 1 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
24 19 1 1 0 0 0
23 25 1 0 0 0 0
22 26 1 0 0 0 0
21 27 1 0 0 0 0
17 28 1 0 0 0 0
28 20 1 0 0 0 0
13 29 1 0 0 0 0
30 31 1 0 0 0 0
1 30 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
24 32 1 0 0 0 0
35 36 1 0 0 0 0
6 35 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 34
M SMT 1 ^ OCH3
M SBV 1 34 0.5721 -0.3303
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 3 32 33 34
M SBL 2 1 37
M SMT 2 ^ COOH
M SBV 2 37 0.6948 -0.5802
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 35 36
M SBL 3 1 39
M SMT 3 OCH3
M SBV 3 39 0.0000 -0.6677
S SKP 5
ID FL3FF8GS0007
FORMULA C23H22O13
EXACTMASS 506.10604078999995
AVERAGEMASS 506.41298000000006
SMILES c(c(O)1)(C(=O)2)c(OC(c(c(OC(O4)C(O)C(C(O)C4C(O)=O)O)3)c(O)ccc3)=C2)c(c(c1)OC)OC
M END
