Mol:FL1C1ANP0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
1.7323 0.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7323 -0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2886 -0.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8449 -0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8449 0.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2886 0.7582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4753 -0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0316 -0.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0808 -0.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6417 -0.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0808 -1.1672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6417 0.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1944 0.7644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7470 0.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7470 -0.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1944 -0.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4010 0.7581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2995 -0.5118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8509 -0.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1944 -1.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2995 0.7614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8509 0.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4010 0.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0449 1.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4010 -0.5264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 8 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
5 17 1 0 0 0 0
15 18 1 0 0 0 0
18 19 2 0 0 0 0
16 20 1 0 0 0 0
14 21 1 0 0 0 0
21 22 1 0 0 0 0
22 19 1 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
4 25 1 0 0 0 0
S SKP 8
ID FL1C1ANP0007
KNApSAcK_ID C00007093
NAME 3,4,2'-Trihydroxy-6'',6''-dimethylpyrano[2'',3'':4',3']chalcone
CAS_RN -
FORMULA C20H18O5
EXACTMASS 338.115423686
AVERAGEMASS 338.35392
SMILES c(c(O)1)(O)ccc(C=CC(c(c3O)ccc(c32)OC(C=C2)(C)C)=O)c1
M END
