Mol:FL3FF9GS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-0.1112 0.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1112 -0.6950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5899 -1.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2910 -0.6950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2910 0.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5899 0.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9921 -1.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6932 -0.6950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6932 0.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9921 0.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9921 -1.8988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3941 0.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1087 0.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8232 0.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8232 1.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1087 1.7569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3941 1.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8121 0.5192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5899 -1.8404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0693 0.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4195 -0.3451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4837 0.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5808 0.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2369 0.6848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0556 0.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8232 0.1775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2455 -0.3133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6575 -0.6145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5899 1.2389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6917 0.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7314 0.9983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1718 1.8988 0.0000 O 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
1 18 1 0 0 0 0
3 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
23 18 1 0 0 0 0
6 29 1 0 0 0 0
30 31 2 0 0 0 0
30 32 1 0 0 0 0
25 30 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 30 31 32
M SBL 1 1 35
M SMT 1 ^COOH
M SBV 1 35 0.6360 -0.7455
S SKP 5
ID FL3FF9GS0001
FORMULA C21H18O11
EXACTMASS 446.084911418
AVERAGEMASS 446.36102
SMILES C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c(O)1)cc(O)c(C(=O)3)c1OC(=C3)c(c2)cccc2)O)O
M END
