Mol:FL5FFAGS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-2.1681 -0.9235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1681 -1.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4536 -2.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7392 -1.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7392 -0.9235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4536 -0.5109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0247 -2.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6897 -1.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6897 -0.9235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0247 -0.5109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0247 -2.8041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4039 -0.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1321 -0.9314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8602 -0.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8602 0.3298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1321 0.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4039 0.3298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8823 -0.5111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3921 -2.1620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4536 -2.9855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4822 0.8652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8649 2.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2303 1.7953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5456 1.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1435 0.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9335 1.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6185 1.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2649 2.9855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4822 2.3950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6202 0.4861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4536 0.3137 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
8 19 1 0 0 0 0
3 20 1 0 0 0 0
21 15 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
6 31 1 0 0 0 0
31 25 1 0 0 0 0
S SKP 5
ID FL5FFAGS0005
FORMULA C20H18O11
EXACTMASS 434.084911418
AVERAGEMASS 434.35032
SMILES c(c4)c(ccc(O)4)C(O1)=C(C(c(c2O)c1c(OC(O3)C(O)C(C(O)C3)O)c(O)c2)=O)O
M END
