Mol:FL1CA9NP0010
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-2.1647 0.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1647 -0.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4502 -1.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7358 -0.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7358 0.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4502 0.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0213 -1.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0213 -2.0402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6932 -0.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4076 -1.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1221 -0.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8366 -1.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5511 -0.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5511 0.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8366 0.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1221 0.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4502 -1.9771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0678 0.4080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0375 -2.3161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4502 1.2598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1647 1.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8792 1.2598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8792 0.4348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1647 2.3161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2965 1.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5511 1.0798 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
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
3 17 1 0 0 0 0
5 18 1 0 0 0 0
17 19 1 0 0 0 0
6 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 1 1 0 0 0 0
21 24 1 0 0 0 0
22 25 1 0 0 0 0
22 26 1 0 0 0 0
S SKP 8
ID FL1CA9NP0010
KNApSAcK_ID C00014445
NAME 2'-Methoxyhelikrausichalcone;6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano[2'',3'':4',3']-2'-hydroxy-6'-methoxychalcone
CAS_RN 554408-29-6
FORMULA C21H22O5
EXACTMASS 354.146723814
AVERAGEMASS 354.39638
SMILES COc(c2C(=O)C=Cc(c3)cccc3)cc(c(c2O)1)OC(C)(C)C(O)C1
M END
