Mol:FLIF1LNF0010
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
29 33 0 0 0 0 0 0 0 0999 V2000
-1.5332 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5332 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9769 -0.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4206 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4206 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9769 0.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1357 -0.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6920 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6920 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1357 0.5462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2481 -0.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2481 -1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8429 -1.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4377 -1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4377 -0.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8429 -0.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1357 -1.3839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0319 -1.7683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8429 0.2911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2483 0.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1104 1.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7493 1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0105 0.6548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0703 1.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7500 2.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7111 1.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0319 1.2421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4255 -1.9402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1400 -2.3527 0.0000 C 0 0 0 0 0 0 0 0 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
8 11 1 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 16 1 0 0 0 0
16 11 2 0 0 0 0
1 2 1 0 0 0 0
7 17 2 0 0 0 0
14 18 1 0 0 0 0
16 19 1 0 0 0 0
19 20 1 0 0 0 0
20 9 1 0 0 0 0
6 21 1 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
24 25 2 0 0 0 0
24 26 1 0 0 0 0
26 27 1 0 0 0 0
13 28 1 0 0 0 0
28 29 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 28 29
M SBL 1 1 32
M SMT 1 OCH3
M SBV 1 32 -5.1020 4.0341
S SKP 8
ID FLIF1LNF0010
KNApSAcK_ID C00009974
NAME 3-O-Demethylamorphigenin
CAS_RN 98619-30-8
FORMULA C22H20O7
EXACTMASS 396.120902994
AVERAGEMASS 396.39
SMILES c(c14)cc(O5)c(CC5C(CO)=C)c1OC(C2C(=O)4)COc(c3)c2cc(OC)c(O)3
M END
