Mol:FL3FCACS0018
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
-0.8400 -0.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8400 -0.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1255 -1.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5890 -0.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5890 -0.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1255 0.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3036 -1.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0181 -0.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0181 -0.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3036 0.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3036 -1.9012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1255 -2.0826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8914 0.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6443 0.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3973 0.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3973 1.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6443 1.8288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8914 1.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1498 1.8286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3750 -0.8182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8982 -1.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2117 -1.1806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5492 -1.1735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0306 -0.6920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6312 -1.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0909 -1.0789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6524 -1.3717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5488 -1.6567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0822 -0.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3657 -0.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5985 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0557 0.4874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1125 1.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8795 1.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4222 0.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7669 2.0826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2317 1.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1498 0.9647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9714 -0.2446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0509 0.0934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5656 0.3607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2077 1.4731 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
3 12 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
9 13 1 0 0 0 0
16 19 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
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
25 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
34 36 1 0 0 0 0
33 37 1 0 0 0 0
35 38 1 0 0 0 0
30 39 1 0 0 0 0
29 40 1 0 0 0 0
40 31 1 0 0 0 0
23 2 1 0 0 0 0
41 42 1 0 0 0 0
1 41 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 41 42
M SBL 1 1 46
M SMT 1 ^ OCH3
M SBV 1 46 0.7256 -0.3809
S SKP 5
ID FL3FCACS0018
FORMULA C28H32O14
EXACTMASS 592.179205732
AVERAGEMASS 592.54528
SMILES c(c5)c(ccc5O)C(O1)=CC(c(c(O)2)c(cc(OC)c2C(O3)C(O)C(O)C(C3COC(O4)C(O)C(C(O)C4C)O)O)1)=O
M END
