Mol:FL3FEAGS0034
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
47 51 0 0 0 0 0 0 0 0999 V2000
-0.9425 -1.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9425 -2.3869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2805 -2.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3815 -2.3869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3815 -1.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2805 -1.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0436 -2.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7056 -2.3869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7056 -1.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0436 -1.2402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0594 -3.5902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3673 -1.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0421 -1.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7168 -1.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7168 -0.4613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0421 -0.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3673 -0.4613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2805 -3.5319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6196 -1.1711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6786 -0.2258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2534 -1.2705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2074 -1.1561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2904 -1.3912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7767 -0.5486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7228 -0.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1947 -0.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4401 -0.4884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0229 -1.0677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6583 -1.8649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0286 0.5703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0896 2.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7313 2.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2818 1.5498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2818 0.6426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6403 1.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0897 2.0725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3440 3.6713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8180 3.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6303 2.9848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8765 1.6711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2609 1.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2556 0.5762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6726 1.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6606 -2.7371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7925 -3.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3914 -0.0718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4401 -0.6772 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
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
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
23 19 1 0 0 0 0
36 39 1 0 0 0 0
35 40 1 0 0 0 0
40 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
2 44 1 0 0 0 0
46 47 1 0 0 0 0
15 46 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 0.7180 0.3502
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 46 47
M SBL 2 1 51
M SMT 2 OCH3
M SBV 2 51 -0.6746 -0.3895
S SKP 5
ID FL3FEAGS0034
FORMULA C31H36O16
EXACTMASS 664.200335104
AVERAGEMASS 664.60794
SMILES OC(C(Oc(c(OC)5)cc(c3c(O)5)OC(c(c4)ccc(OC)c4)=CC3=O)2)C(C(O)C(O2)COC(C1OC(C)=O)OC(C)C(O)C(O)1)O
M END
