Mol:FL3FABGS0011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
48 52 0 0 0 0 0 0 0 0999 V2000
-1.1065 -1.6914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1065 -2.5012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4051 -2.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2963 -2.5012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2963 -1.6914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4051 -1.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9975 -2.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6990 -2.5012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6990 -1.6914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9975 -1.2865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9975 -3.5377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4001 -1.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1149 -1.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8296 -1.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8296 -0.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1149 -0.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4001 -0.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8076 -1.2867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4051 -3.5380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1043 -1.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4363 -1.9764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4742 -1.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5458 -1.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2203 -0.9175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0620 -1.3617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4081 -0.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6552 -1.3218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1657 -1.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7358 -2.1577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9592 -0.6332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8416 2.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2176 1.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5390 0.6470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2347 -0.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8585 0.6174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5372 1.1933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2373 2.5488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4540 1.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3756 2.0367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2717 1.0283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7215 2.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1344 3.5380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8172 2.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3825 1.9480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3655 3.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5574 3.4819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5443 -0.0486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6552 -0.6900 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
30 26 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 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 31 1 0 0 0 0
34 30 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
36 39 1 0 0 0 0
23 18 1 0 0 0 0
35 40 1 0 0 0 0
39 41 1 0 0 0 0
41 42 2 0 0 0 0
41 43 1 0 0 0 0
43 44 1 0 0 0 0
43 45 1 0 0 0 0
45 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 -0.7146 -0.4125
S SKP 5
ID FL3FABGS0011
FORMULA C33H40O15
EXACTMASS 676.23672061
AVERAGEMASS 676.6617
SMILES C(C1O)(OC(OCC(C5O)OC(C(C5O)O)Oc(c4)cc(c(c4O)2)OC(c(c3)ccc(c3)OC)=CC2=O)C(C1OC(C(C)CC)=O)O)C
M END
