Mol:FL1DA9NP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
1.2403 -0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2403 -0.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7051 -0.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1698 -0.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1698 -0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7051 0.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6728 -0.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2084 -0.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2560 -0.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7192 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2560 -1.3523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7192 0.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2028 0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6863 0.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6863 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2028 -0.8291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2358 0.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2028 -1.3874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1698 0.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1698 -0.8291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2028 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2358 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7193 1.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3123 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0907 1.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6455 1.2885 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
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 7 1 0 0 0 0
10 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 10 1 0 0 0 0
12 17 1 0 0 0 0
16 18 1 0 0 0 0
14 19 1 0 0 0 0
20 15 1 0 0 0 0
13 21 1 0 0 0 0
17 22 1 0 0 0 0
22 23 1 0 0 0 0
23 21 1 0 0 0 0
22 24 1 0 0 0 0
22 25 1 0 0 0 0
21 26 1 6 0 0 0
S SKP 8
ID FL1DA9NP0001
KNApSAcK_ID C00008012
NAME 2',4',4''-Trihydroxy-3',6'',6''-trimethylpyrano[2'',3'':6',5']dihydrochalcone
CAS_RN 125574-35-8
FORMULA C21H24O5
EXACTMASS 356.162373878
AVERAGEMASS 356.41226
SMILES c(c32)(c(c(c(c(C(O)CC(O3)(C)C)2)O)C)O)C(=O)CCc(c1)cccc1
M END
