Mol:FL2F19NP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 26 0 0 0 0 0 0 0 0999 V2000
-1.3904 -0.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3904 -0.7240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8341 -1.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2778 -0.7240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2778 -0.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8341 0.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2785 -1.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8348 -0.7240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8348 -0.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2785 0.2395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3909 0.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9578 -0.0879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5248 0.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5248 0.8941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9578 1.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3909 0.8941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2785 -1.5890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9465 0.2394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8341 0.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3788 1.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9234 0.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9679 1.5890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5248 0.8684 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
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 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
7 17 2 0 0 0 0
1 18 1 0 0 0 0
6 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 18 1 0 0 0 0
22 21 1 0 0 0 0
21 23 1 0 0 0 0
S SKP 8
ID FL2F19NP0001
KNApSAcK_ID C00008132
NAME (-)-Isolonchocarpin
CAS_RN 34198-88-4
FORMULA C20H18O3
EXACTMASS 306.12559444199997
AVERAGEMASS 306.35512
SMILES C(C3)(c(c4)cccc4)Oc(c2C(=O)3)c(c(cc2)1)C=CC(C)(C)O1
M END
