Mol:040i FLID
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
28 31 0 0 0 0 0 0 0 0999 V2000
-2.9283 2.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9283 1.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2139 1.0880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4994 1.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4994 2.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2139 2.7377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7850 1.0880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0705 1.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0705 2.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7850 2.7377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6435 1.0881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6435 0.2060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4074 -0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1713 0.2060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1713 1.0881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4074 1.5290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9284 -0.2312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7761 0.2061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4995 0.6755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6438 1.9129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6427 0.1813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4147 -1.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1292 -1.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1292 -2.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4147 -2.7377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8437 -2.7377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8437 -1.0878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6427 2.7377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
4 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 5 1 0
8 11 1 0
11 12 2 0
12 13 1 0
13 14 2 0
14 15 1 0
15 16 2 0
16 11 1 0
1 2 2 0
17 14 1 0
12 18 1 0
7 18 1 0
7 19 1 6
8 20 1 6
17 21 1 0
22 23 1 0
23 24 1 0
24 25 1 0
24 26 1 0
13 22 1 0
23 27 2 0
1 28 1 0
S SKP 5
ID 040i FLID
FORMULA C21H22O6
EXACTMASS 370.141638436
AVERAGEMASS 370.39578
SMILES CC(C)C(=O)Cc(c(OC)4)c(O1)c(cc4)C(O)(C2)C([H])1c(c3)c(cc(O)c3)O2
M END
