Mol:FL3FABGS0010
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
48 52 0 0 0 0 0 0 0 0999 V2000
-1.2198 -1.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2198 -2.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5188 -2.7717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1819 -2.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1819 -1.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5188 -1.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8829 -2.7717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5837 -2.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5837 -1.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8829 -1.1531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8829 -3.4027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2843 -1.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9987 -1.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7130 -1.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7130 -0.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9987 0.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2843 -0.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9204 -1.1533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5188 -3.4030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8220 -0.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4891 -1.1390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3539 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6537 -1.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1051 -0.5310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9193 -0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0572 -0.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5372 -0.2685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1396 -0.8633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7251 0.2553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9221 2.7964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5137 2.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0763 1.4476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0595 0.5940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4678 1.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9053 1.9429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1238 3.4030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6149 2.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5662 2.6107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0037 1.9288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2594 1.5522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5931 1.9646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6083 2.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9126 1.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1850 2.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2640 0.7929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9728 -1.9317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4271 0.0839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5372 -0.5570 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
1 18 1 0 0 0 0
19 3 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
25 26 1 0 0 0 0
20 27 1 0 0 0 0
21 28 1 0 0 0 0
29 26 1 0 0 0 0
30 31 1 1 0 0 0
31 32 1 1 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
33 29 1 0 0 0 0
30 36 1 0 0 0 0
31 37 1 0 0 0 0
35 38 1 0 0 0 0
23 18 1 0 0 0 0
34 39 1 0 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
41 42 1 0 0 0 0
41 43 1 0 0 0 0
43 44 1 0 0 0 0
40 45 2 0 0 0 0
22 46 1 0 0 0 0
47 48 1 0 0 0 0
15 47 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 47 48
M SBL 1 1 52
M SMT 1 OCH3
M SBV 1 52 -0.7141 -0.4124
S SKP 5
ID FL3FABGS0010
FORMULA C33H40O15
EXACTMASS 676.23672061
AVERAGEMASS 676.6617
SMILES O(C(C5O)OC(C(C5O)O)COC(O4)C(C(O)C(C4C)O)OC(C(C)CC)=O)c(c3)cc(O1)c(c(O)3)C(=O)C=C1c(c2)ccc(c2)OC
M END
