Mol:FL1CA9NP0012
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-2.1434 1.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 0.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 0.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 1.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 1.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -0.7153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 0.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 0.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 0.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 1.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 1.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 1.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 1.7597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0000 1.7597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 1.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -0.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -1.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -0.7153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6131 -1.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6737 -1.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 -1.1278 0.0000 O 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
4 7 1 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 2 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
1 17 1 0 0 0 0
5 18 1 0 0 0 0
18 19 1 0 0 0 0
2 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 3 1 0 0 0 0
22 24 1 0 0 0 0
22 25 1 0 0 0 0
21 26 1 0 0 0 0
S SKP 8
ID FL1CA9NP0012
KNApSAcK_ID C00014448
NAME 6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano[2'',3'':2',3']-4'-hydroxy-6'-methoxychalcone
CAS_RN 140158-54-9
FORMULA C21H22O5
EXACTMASS 354.146723814
AVERAGEMASS 354.39638
SMILES COc(c2)c(c(O3)c(CC(C3(C)C)O)c(O)2)C(=O)C=Cc(c1)cccc1
M END
