Mol:FLIAAANP0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 28 0 0 0 0 0 0 0 0999 V2000
-1.7270 0.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7270 -0.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1707 -0.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6144 -0.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6144 0.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1707 0.5780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0581 -0.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4982 -0.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4982 0.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0581 0.5780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0543 -0.7066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0543 -1.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6491 -1.7368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2439 -1.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2439 -0.7066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6491 -0.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0581 -1.3489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1707 -1.3489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8381 -1.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1707 1.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7270 1.5415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2833 1.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2833 0.5780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5814 1.7368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8381 1.0717 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 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 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
3 18 1 0 0 0 0
14 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 1 1 0 0 0 0
22 24 1 0 0 0 0
22 25 1 0 0 0 0
S SKP 8
ID FLIAAANP0003
KNApSAcK_ID C00009493
NAME Derrone
CAS_RN 76166-59-1
FORMULA C20H16O5
EXACTMASS 336.099773622
AVERAGEMASS 336.33804000000003
SMILES c(c14)(OC=C(C4=O)c(c3)ccc(O)c3)c(C=2)c(OC(C2)(C)C)cc1O
M END
