Mol:FL3FEAGS0024
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
-0.3732 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3732 -1.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3277 -1.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0285 -1.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0285 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3277 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7294 -1.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4302 -1.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4302 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7294 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7294 -2.3148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1308 0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8452 -0.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5595 0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5595 0.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8452 1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1308 0.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3279 -2.3153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0694 -0.0074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9944 0.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4066 -0.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5603 -0.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7436 -0.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3370 0.2976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0775 -0.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4821 0.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6210 -0.1436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0533 -0.6387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8884 -0.7696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6790 0.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9629 0.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1901 1.0890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9629 1.8889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6790 2.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4518 1.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2055 0.4690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3201 3.0050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9065 2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1358 1.9673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.3018 0.7076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0520 -1.5449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5834 -3.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1917 1.2661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3018 0.6251 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
18 3 1 0 0 0 0
19 1 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
22 29 1 0 0 0 0
31 30 1 1 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 1 0 0 0
35 30 1 1 0 0 0
31 36 1 0 0 0 0
36 26 1 0 0 0 0
34 37 1 0 0 0 0
33 38 1 0 0 0 0
35 39 1 0 0 0 0
30 40 1 0 0 0 0
23 19 1 0 0 0 0
41 42 1 0 0 0 0
2 41 1 0 0 0 0
43 44 1 0 0 0 0
15 43 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 41 42
M SBL 1 1 46
M SMT 1 ^ OCH3
M SBV 1 46 0.6787 0.3314
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 43 44
M SBL 2 1 48
M SMT 2 OCH3
M SBV 2 48 -0.6322 -0.4409
S SKP 5
ID FL3FEAGS0024
FORMULA C29H34O15
EXACTMASS 622.189770418
AVERAGEMASS 622.5712599999999
SMILES c(c5)(ccc(OC)c5)C(=C1)Oc(c2)c(c(O)c(c2OC(C(O)3)OC(COC(O4)C(C(C(O)C(C)4)O)O)C(O)C(O)3)OC)C1=O
M END
