Mol:FL3FEAGS0025
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
47 51 0 0 0 0 0 0 0 0999 V2000
-0.2459 -0.9943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2459 -1.8038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4551 -2.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1559 -1.8038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1559 -0.9943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4551 -0.5897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8569 -2.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5578 -1.8038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5578 -0.9943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8569 -0.5897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8584 -2.9273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2584 -0.5898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9730 -1.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6873 -0.5898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6873 0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9730 0.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2584 0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4759 -2.9057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0660 -0.6182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0603 -0.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4724 -1.3186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6261 -0.9894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8093 -0.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4028 -0.3870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1434 -0.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6368 -0.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6663 -0.7870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2018 -1.3027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9734 -1.5588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7863 0.0436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0701 -0.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2974 0.4252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0701 1.2251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7863 1.6387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5591 0.8436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2715 -0.2362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5952 2.2823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1528 1.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2019 1.2829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4504 0.0437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5922 3.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2312 3.5756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9781 3.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8834 -2.1353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4148 -3.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3402 0.6966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4504 0.0556 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
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
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 0.6375 0.3316
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 -0.6529 -0.4616
S SKP 5
ID FL3FEAGS0025
FORMULA C31H36O16
EXACTMASS 664.200335104
AVERAGEMASS 664.60794
SMILES c(c43)(OC(c(c5)ccc(OC)c5)=CC4=O)cc(c(OC)c(O)3)OC(C1O)OC(COC(C(O)2)OC(C)C(OC(C)=O)C(O)2)C(C(O)1)O
M END
