Mol:FL2FACGS0014
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-0.8220 0.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1094 0.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8188 -0.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1021 -1.0908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6106 -0.6752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6069 0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3269 -1.0845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0395 -0.6688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0358 0.1561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3196 0.5655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6896 0.5370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4057 0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1185 0.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1154 1.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3993 1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6864 1.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3279 -1.7278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4475 0.5046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1021 -1.8154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7713 1.7462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7492 0.1784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2139 0.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8013 0.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0029 0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2095 0.2186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6220 0.9334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4204 0.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7704 1.2455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7713 0.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3905 0.2363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4460 -0.1114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4414 1.8154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4151 1.2455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 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 2 1 0 0 0 0
5 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 6 1 0 0 0 0
9 11 1 6 0 0 0
11 12 2 0 0 0 0
12 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 11 1 0 0 0 0
7 17 2 0 0 0 0
1 18 1 0 0 0 0
4 19 1 0 0 0 0
14 20 1 0 0 0 0
13 21 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
27 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
28 32 2 0 0 0 0
28 33 1 0 0 0 0
25 18 1 0 0 0 0
S SKP 5
ID FL2FACGS0014
FORMULA C21H20O12
EXACTMASS 464.095476104
AVERAGEMASS 464.37629999999996
SMILES C(C(Oc(c4)cc(c(c4O)3)OC(CC(=O)3)c(c2)cc(c(O)c2)O)1)(O)C(O)C(C(C(O)=O)O1)O
M END
