Mol:FL4D1CGS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-1.5003 -1.2554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7918 -1.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0832 -1.2554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0832 -0.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7918 -0.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5003 -0.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6253 -1.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3338 -1.2554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3338 -0.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6253 -0.0281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6253 -2.3770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1224 -0.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8416 -0.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5609 -0.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5609 0.8007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8416 1.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1224 0.8007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1134 -0.0465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9709 -2.0398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8416 2.0464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2801 1.2159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6160 0.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9016 -0.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1282 0.6296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9016 1.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6160 1.8401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3894 1.0468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3238 2.3770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9002 2.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0513 1.5889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2801 0.1888 0.0000 O 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
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 4 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 6 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
6 18 1 0 0 0 0
8 19 1 1 0 0 0
16 20 1 0 0 0 0
15 21 1 0 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 26 1 0 0 0 0
26 27 1 1 0 0 0
27 22 1 1 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
27 30 1 0 0 0 0
22 31 1 0 0 0 0
23 18 1 0 0 0 0
S SKP 5
ID FL4D1CGS0002
FORMULA C21H22O10
EXACTMASS 434.121296924
AVERAGEMASS 434.39338
SMILES C(O1)(Oc(c4)cc(c2c4)OC(c(c3)cc(c(O)c3)O)C(C2=O)O)C(O)C(O)C(O)C(C)1
M END
