Mol:035a FLIB
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
28 32 0 0 0 0 0 0 0 0999 V2000
-1.0363 -0.6619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7507 1.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7507 0.5756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0363 0.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3219 0.5756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3219 1.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0363 1.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3926 0.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1070 0.5756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3926 1.8129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8211 0.1632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8211 -0.7189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5850 -1.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3489 -0.7189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3489 0.1632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5850 0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3948 -0.7187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1070 1.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5850 1.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7685 -2.0228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6457 -2.1149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0045 -1.3091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4651 1.8129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1795 1.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1795 0.5756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4651 0.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5920 2.1149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0045 1.4004 0.0000 C 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 7 1 0
7 2 2 0
5 8 1 0
8 9 1 0
10 6 1 0
9 11 1 6
11 12 2 0
12 13 1 0
13 14 2 0
14 15 1 0
15 16 2 0
16 11 1 0
8 17 2 0
9 18 1 0
18 10 1 0
4 1 1 0
16 19 1 0
13 20 1 0
20 21 1 0
21 22 1 0
22 14 1 0
2 23 1 0
23 24 1 0
24 25 1 0
25 26 2 0
26 3 1 0
24 27 1 0
24 28 1 0
S SKP 5
ID 035a FLIB
FORMULA C21H18O7
EXACTMASS 382.10525293
AVERAGEMASS 382.36342
SMILES CC(C)(C=5)Oc(c4)c(C5)c(O)c(c34)C(=O)C(CO3)c(c1)c(O)cc(O2)c(OC2)1
M END
