Mol:FL1DA9NI0002
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
25 26 0 0 0 0 0 0 0 0999 V2000
-0.9268 0.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9268 -0.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4620 -0.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0027 -0.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0027 0.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4620 0.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4620 -0.9800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4671 -0.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9303 -0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3936 -0.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8568 -0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3200 -0.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7832 -0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7832 0.3588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3200 0.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8568 0.3588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4671 -0.9784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4671 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3912 -0.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8556 -0.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3200 -0.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7832 -0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3200 -0.9784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2840 0.9800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7839 1.8461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 7 1 0 0 0 0
4 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 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
8 17 2 0 0 0 0
5 18 1 0 0 0 0
2 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
1 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 25
M SMT 1 OCH3
M SVB 1 25 -1.284 0.98
S SKP 8
ID FL1DA9NI0002
KNApSAcK_ID C00008005
NAME 2',6'-Dihydroxy-4'-methoxy-3'-prenyldihydrochalcone
CAS_RN 85526-72-3
FORMULA C21H24O4
EXACTMASS 340.167459256
AVERAGEMASS 340.41285999999997
SMILES C(c(c1O)c(cc(c1C(=O)CCc(c2)cccc2)O)OC)C=C(C)C
M END
</pre>
