Mol:FL5F39GS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
2.6338 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6338 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3483 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0628 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0628 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3483 1.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9194 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2049 0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4904 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4904 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2049 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9194 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2241 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9385 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9385 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2241 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2049 -1.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6529 0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5257 -1.0222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2241 1.2205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 1.5821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1991 -0.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6116 -0.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8183 -0.7049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0204 -0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6078 -0.1996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4010 -0.4262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0043 -1.5706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2519 -1.3286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0628 -0.6711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8110 -0.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 13 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 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
13 20 1 0 0 0 0
20 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
25 24 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
25 28 1 0 0 0 0
24 29 1 0 0 0 0
23 30 1 0 0 0 0
22 31 1 0 0 0 0
26 18 1 0 0 0 0
S SKP 5
ID FL5F39GS0001
FORMULA C22H22O9
EXACTMASS 430.126382302
AVERAGEMASS 430.40468000000004
SMILES c(c1)ccc(C(O4)=C(C(c(c43)ccc(c(OC)3)OC(O2)C(C(C(O)C2C)O)O)=O)O)c1
M END
