Mol:FL7AADGL0027
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
-1.7683 1.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0538 1.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0538 2.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7683 2.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4828 2.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4828 1.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3392 1.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3753 1.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3753 2.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3392 2.9410 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.0559 2.9214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7390 2.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4221 2.9214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4221 3.7102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7390 4.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0559 3.7102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0673 4.0827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0673 2.8659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7683 0.7115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0866 1.2335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7390 4.7878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3729 5.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2149 -2.0649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0612 -4.7577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7407 -4.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3975 -3.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5092 -2.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8297 -3.0972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1728 -3.8957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5142 -4.6568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6566 -5.1537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8209 -2.8090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8460 -0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4548 -1.4452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2679 -0.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4654 0.1102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8268 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0420 -0.1353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7229 -1.0047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4878 0.8522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8266 -1.5944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4512 -1.4650 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
2 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 3 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
14 17 1 0 0 0 0
5 18 1 0 0 0 0
1 19 1 0 0 0 0
8 20 1 0 0 0 0
15 21 1 0 0 0 0
21 22 1 0 0 0 0
24 25 1 1 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 24 1 0 0 0 0
24 30 1 0 0 0 0
25 31 1 0 0 0 0
26 32 1 0 0 0 0
27 23 1 0 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 37 1 0 0 0 0
37 38 1 1 0 0 0
38 33 1 1 0 0 0
35 39 1 0 0 0 0
36 40 1 0 0 0 0
20 37 1 0 0 0 0
23 34 1 0 0 0 0
41 42 1 0 0 0 0
33 41 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 41 42
M SBL 1 1 46
M SMT 1 ^ CH2OH
M SBV 1 46 0.0194 0.7687
S SKP 5
ID FL7AADGL0027
FORMULA C27H31O15
EXACTMASS 595.166295322
AVERAGEMASS 595.52604
SMILES COc(c(O)1)cc(c([o+1]3)c(OC(O5)C(O)C(C(C5CO)OC(C(O)4)OCC(O)C4O)O)cc(c32)c(cc(O)c2)O)cc1
M END
