Mol:FLIAAANP0010
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-2.3338 0.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3338 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7775 -0.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2212 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2212 0.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7775 0.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6649 -0.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1086 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1086 0.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6649 0.9976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4475 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4475 -0.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0423 -1.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6371 -0.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6371 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0423 0.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6649 -0.9293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8899 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8899 0.9974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7775 -0.9293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4460 0.6761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4460 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4460 1.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0139 0.3483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2313 -1.3169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2313 0.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8255 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4197 0.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4197 0.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0139 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0009 -0.2864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
8 11 1 0 0 0 0
11 12 1 0 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 11 2 0 0 0 0
1 2 1 0 0 0 0
7 17 2 0 0 0 0
2 18 1 0 0 0 0
1 19 1 0 0 0 0
3 20 1 0 0 0 0
19 21 1 0 0 0 0
21 22 1 0 0 0 0
22 18 1 0 0 0 0
21 23 1 0 0 0 0
21 24 1 0 0 0 0
14 25 1 0 0 0 0
15 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
22 31 1 0 0 0 0
S SKP 8
ID FLIAAANP0010
KNApSAcK_ID C00009931
NAME Lupinisolone A
CAS_RN 121747-96-4
FORMULA C25H26O6
EXACTMASS 422.172938564
AVERAGEMASS 422.47033999999996
SMILES C(=CCc(c1)c(ccc(C(C(=O)2)=COc(c3)c2c(O)c(C4)c(OC(C)(C)C(O)4)3)1)O)(C)C
M END
