Mol:FL3FABGS0009
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
45 49 0 0 0 0 0 0 0 0999 V2000
-0.4042 -1.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4042 -2.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2966 -2.6793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9976 -2.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9976 -1.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2966 -1.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6984 -2.6793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3994 -2.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3994 -1.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6984 -1.0606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6984 -3.3104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1001 -1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8145 -1.4731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5290 -1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5290 -0.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8145 0.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1001 -0.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1049 -1.0607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2966 -3.3109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1839 -0.9453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5428 -1.7914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6198 -1.4325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7292 -1.4228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3764 -0.7754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1839 -1.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5365 -0.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8225 -1.2939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2107 -1.8207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9246 -2.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6950 -0.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9140 -0.7889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1618 0.0782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9140 0.9506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6950 1.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4472 0.5345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2244 -0.6156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2366 2.0016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9140 1.5133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0452 0.9482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.3534 -0.3718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6590 2.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2960 2.7006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3069 3.3109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2430 0.1766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3534 -0.4645 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
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 18 1 0 0 0 0
37 41 1 0 0 0 0
41 42 2 0 0 0 0
41 43 1 0 0 0 0
44 45 1 0 0 0 0
15 44 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 44 45
M SBL 1 1 49
M SMT 1 OCH3
M SBV 1 49 -0.7140 -0.4124
S SKP 5
ID FL3FABGS0009
FORMULA C30H34O15
EXACTMASS 634.189770418
AVERAGEMASS 634.58196
SMILES C(O)(C(COC(C(O)5)OC(C)C(OC(C)=O)C5O)4)C(C(C(O4)Oc(c1)cc(O2)c(C(C=C2c(c3)ccc(c3)OC)=O)c1O)O)O
M END
