Mol:FLIE1ANI0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 28 0 0 0 0 0 0 0 0999 V2000
-2.0044 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0044 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4481 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8918 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8918 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4481 0.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3355 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2208 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2208 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3355 0.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7769 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7769 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3717 -2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9665 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9665 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3717 -0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7769 0.1941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3338 -1.7770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5607 0.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5607 -2.1203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4481 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0042 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0042 1.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5603 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4481 2.1206 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 2 0 0 0 0
8 9 1 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 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
9 17 2 0 0 0 0
7 18 1 0 0 0 0
19 1 1 0 0 0 0
12 18 1 0 0 0 0
14 20 1 0 0 0 0
6 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
S SKP 8
ID FLIE1ANI0004
KNApSAcK_ID C00010051
NAME Phaseol;3,9-Dihydroxy-4-prenylcoumestan
CAS_RN 88478-02-8
FORMULA C20H16O5
EXACTMASS 336.099773622
AVERAGEMASS 336.33804000000003
SMILES C(c(c4O)c(c3cc4)OC(c(c32)c(c1)c(o2)cc(O)c1)=O)C=C(C)C
M END
