Mol:FL3FEACS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
43 47 0 0 0 0 0 0 0 0999 V2000
-1.6550 -0.8865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6550 -1.6953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9544 -2.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2539 -1.6953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2539 -0.8865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9544 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4466 -2.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1472 -1.6953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1472 -0.8865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4466 -0.4820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4466 -2.9334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1990 2.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7151 1.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6957 0.9103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9621 0.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2143 0.5016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3263 1.3168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1002 2.9334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5088 2.5595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5999 0.3592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9544 -2.9084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0032 -0.3523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7415 -0.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4797 -0.3523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4797 0.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7415 0.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0032 0.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2174 0.9261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4405 1.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3669 1.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9678 0.9221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9537 0.4999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8795 0.9350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3669 1.9960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4486 1.9622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3664 0.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2174 1.5830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3665 1.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0342 0.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2701 -0.5314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8996 0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3060 -2.0712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2057 -2.5908 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
12 13 1 1 0 0 0
13 14 1 1 0 0 0
15 14 1 1 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 12 1 0 0 0 0
12 18 1 0 0 0 0
13 19 1 0 0 0 0
14 20 1 0 0 0 0
6 15 1 0 0 0 0
3 21 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 22 1 0 0 0 0
9 22 1 0 0 0 0
25 28 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 1 0 0 0
33 32 1 1 0 0 0
33 29 1 0 0 0 0
30 34 1 0 0 0 0
29 35 1 0 0 0 0
20 33 1 0 0 0 0
36 37 1 0 0 0 0
30 36 1 0 0 0 0
38 39 1 0 0 0 0
17 38 1 0 0 0 0
40 41 1 0 0 0 0
1 40 1 0 0 0 0
42 43 1 0 0 0 0
2 42 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 36 37
M SBL 1 1 41
M SMT 1 CH2OH
M SBV 1 41 -0.0005 0.4067
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 38 39
M SBL 2 1 43
M SMT 2 CH2OH
M SBV 2 43 -0.6928 -0.3415
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 40 41
M SBL 3 1 45
M SMT 3 ^ OCH3
M SBV 3 45 0.6151 -0.3551
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 42 43
M SBL 4 1 47
M SMT 4 ^ OCH3
M SBV 4 47 0.6510 0.3759
S SKP 5
ID FL3FEACS0002
FORMULA C28H32O15
EXACTMASS 608.174120354
AVERAGEMASS 608.54468
SMILES c(OC)(c3C(O4)C(OC(O5)C(C(CO)(O)C5)O)C(O)C(C(CO)4)O)c(c(O)c(c31)C(=O)C=C(c(c2)ccc(c2)O)O1)OC
M END
