Mol:FL3FACCS0040
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-1.8335 0.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8335 -0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0819 -0.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3304 -0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3304 0.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0819 0.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4213 -0.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1729 -0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1729 0.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4213 0.8269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4213 -1.7415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0819 -1.7764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5849 0.8268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9303 0.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6448 0.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3590 0.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3590 1.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6448 2.0951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9303 1.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0734 2.0951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6448 2.9200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6120 -1.6882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4332 -2.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0974 -1.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4901 -1.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6690 -0.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0049 -1.3495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9477 -2.6115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6886 -2.9200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0734 -2.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9595 -0.8824 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
3 12 1 0 0 0 0
1 13 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 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
9 14 1 0 0 0 0
17 20 1 0 0 0 0
18 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
24 28 1 0 0 0 0
23 29 2 0 0 0 0
22 30 1 0 0 0 0
25 31 1 0 0 0 0
2 26 1 0 0 0 0
S SKP 5
ID FL3FACCS0040
FORMULA C21H18O10
EXACTMASS 430.089996796
AVERAGEMASS 430.36162
SMILES c(c1)c(C(=C4)Oc(c3)c(C(=O)4)c(c(c(O)3)C(C(O)2)OC(C)C(=O)C2O)O)cc(c(O)1)O
M END
