Mol:FLIG1LNI0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
26 29 0 0 0 0 0 0 0 0999 V2000
-2.8946 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8946 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3383 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7820 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7820 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3383 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2257 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6694 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2257 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1133 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1133 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4815 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0763 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0763 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4815 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6694 0.8360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6705 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4507 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3383 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4673 0.8362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2257 -0.7519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6705 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2647 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8577 0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8577 0.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4507 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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
9 5 1 0 0 0 0
8 10 1 0 0 0 0
10 11 2 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 10 1 0 0 0 0
8 16 2 0 0 0 0
16 9 1 0 0 0 0
13 17 1 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
16 20 1 0 0 0 0
20 15 1 0 0 0 0
7 21 2 0 0 0 0
14 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
S SKP 8
ID FLIG1LNI0002
KNApSAcK_ID C00010064
NAME Lupinalbin D
CAS_RN 98094-85-0
FORMULA C20H16O6
EXACTMASS 352.094688244
AVERAGEMASS 352.33744
SMILES O(c42)c(c1)c(C(c2c(c(o4)3)ccc(O)c(CC=C(C)C)3)=O)c(cc(O)1)O
M END
