Mol:FL1C1ANF0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-2.0159 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0159 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4596 -0.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9033 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9033 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4596 0.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3470 -0.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2093 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7654 -0.3598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3215 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8825 -0.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4435 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4435 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8825 0.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3215 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3470 -0.8612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6268 0.8021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0044 0.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6268 -0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0044 0.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8960 -0.5204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1815 -0.9329 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 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
7 16 2 0 0 0 0
1 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 2 1 0 0 0 0
13 20 1 0 0 0 0
3 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SBV 1 23 -6.0782 3.7225
S SKP 8
ID FL1C1ANF0001
KNApSAcK_ID C00007022
NAME Purpuritenin A
CAS_RN 83728-90-9
FORMULA C19H16O3
EXACTMASS 292.109944378
AVERAGEMASS 292.32854
SMILES c(c23)(occ3)ccc(c2OC)C(=O)C=Cc(c1)ccc(C)c1
M END
