Mol:FL3FCDGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-1.4078 0.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4078 -0.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7068 -0.7933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0057 -0.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0057 0.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7068 0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6953 -0.7933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3964 -0.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3964 0.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6953 0.8257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7160 -1.6140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0972 0.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8116 0.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5263 0.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5263 1.6506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8116 2.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0972 1.6506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2775 2.0823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7054 -1.5407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9308 -2.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5333 -3.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3747 -3.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2091 -3.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6063 -2.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7652 -2.7122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8723 -2.4505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2775 -3.1075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9270 -3.8477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2269 -4.2173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9411 0.8244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7182 2.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8403 2.7853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4441 4.2173 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 15 1 0 0 0 0
3 19 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 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
23 29 1 0 0 0 0
24 19 1 0 0 0 0
30 31 1 0 0 0 0
1 30 1 0 0 0 0
32 33 1 0 0 0 0
16 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 34
M SMT 1 ^ OCH3
M SBV 1 34 0.5333 -0.4035
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 32 33
M SBL 2 1 36
M SMT 2 OCH3
M SBV 2 36 -0.0287 -0.7222
S SKP 5
ID FL3FCDGS0001
FORMULA C23H24O10
EXACTMASS 460.136946988
AVERAGEMASS 460.43066
SMILES C(C3=O)=C(c(c4)cc(c(c4)O)OC)Oc(c31)cc(OC)cc1OC(O2)C(C(C(O)C2C)O)O
M END
