Mol:FL1DCANM0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 23 0 0 0 0 0 0 0 0999 V2000
-1.7296 0.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7296 -0.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2649 -0.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8001 -0.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8001 0.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2649 0.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2649 -1.0729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3357 -0.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1275 -0.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5907 -0.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0539 -0.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5172 -0.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9804 -0.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9804 0.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5172 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0539 0.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3357 -1.0713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3357 0.5364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2649 1.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4436 0.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6186 0.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4436 0.6000 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
6 19 1 0 0 0 0
14 20 1 0 0 0 0
1 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 22
M SMT 1 ^OCH3
M SBV 1 22 -5.9663 4.6219
S SKP 8
ID FL1DCANM0001
KNApSAcK_ID C00007999
NAME 4,2',6'-Trihydroxy-4'-methoxy-3'-methyldihydrochalcone
CAS_RN 72461-71-3
FORMULA C17H18O5
EXACTMASS 302.115423686
AVERAGEMASS 302.32182
SMILES COc(c1)c(C)c(O)c(C(=O)CCc(c2)ccc(O)c2)c(O)1
M END
