Mol:FL3FGCGS0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
47 50 0 0 0 0 0 0 0 0999 V2000
0.0303 -3.1181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0303 -3.9431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6924 -4.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3545 -3.9431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3545 -3.1785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6924 -2.7963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0164 -4.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6785 -3.9431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6785 -3.1785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0164 -2.7963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2684 -4.8652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3403 -2.7965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0150 -3.1860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6898 -2.7965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6898 -2.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0150 -1.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3403 -2.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6924 -5.0882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5480 -2.5706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2799 -1.5140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9141 -0.6778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7580 -1.9214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6024 -2.0993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6860 -2.6152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9658 -1.5713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0429 -1.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1444 -0.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8140 -0.6352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6089 -1.5148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0998 -2.9906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7004 -0.2257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0798 0.8492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0479 0.5728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6581 1.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7467 1.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1576 2.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2787 0.9298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2799 2.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4536 -0.7691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1213 0.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4690 4.6050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8112 4.0121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9426 5.4254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0428 -1.9884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6270 -0.6419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7026 -4.4911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8347 -5.4254 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
1 19 1 0 0 0 0
15 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
26 27 1 0 0 0 0
21 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
31 27 1 0 0 0 0
24 19 1 0 0 0 0
31 32 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
35 37 1 0 0 0 0
35 38 1 0 0 0 0
39 40 1 0 0 0 0
16 39 1 0 0 0 0
41 42 2 0 0 0 0
41 43 1 0 0 0 0
38 41 1 0 0 0 0
44 45 1 0 0 0 0
6 44 1 0 0 0 0
46 47 1 0 0 0 0
2 46 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 39 40
M SBL 1 1 43
M SMT 1 OCH3
M SBV 1 43 -0.4386 -0.8587
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 3 41 42 43
M SBL 2 1 46
M SMT 2 COOH
M SBV 2 46 -0.8109 -1.8302
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 44 45
M SBL 3 1 48
M SMT 3 OCH3
M SBV 3 48 -0.3504 -0.8078
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 46 47
M SBL 4 1 50
M SMT 4 ^ OCH3
M SBV 4 50 0.7329 0.5480
S SKP 5
ID FL3FGCGS0008
FORMULA C30H34O17
EXACTMASS 666.179599662
AVERAGEMASS 666.58076
SMILES OC(C1O)C(C(OC(Oc(c(OC)2)c(c(O)c(C4=O)c(OC(=C4)c(c3)ccc(O)c3OC)2)OC)1)COC(=O)CC(CC(O)=O)(C)O)O
M END
