Mol:FL1D1CNP0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-3.5193 0.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5193 -0.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8048 -0.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0903 -0.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0903 0.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8048 0.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1540 0.8114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8048 1.5350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3551 -0.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6608 -0.4036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0814 -0.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0814 -1.5350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7408 -0.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4553 -0.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1698 -0.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1698 0.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4553 0.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7408 0.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4553 -1.5186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8842 -0.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5987 -0.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5987 0.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8842 0.7861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0523 0.8272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1540 0.0530 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
1 7 1 0 0 0 0
6 8 1 0 0 0 0
4 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
11 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
14 19 1 0 0 0 0
15 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 16 1 0 0 0 0
22 24 1 0 0 0 0
22 25 1 0 0 0 0
S SKP 8
ID FL1D1CNP0002
KNApSAcK_ID C00014616
NAME Crotin (chalcone);3,4,2'-Trihydroxy-6'',6''-dimethylpyrano[2'',3'':4',3']dihydrochalcone
CAS_RN 255831-48-2
FORMULA C20H20O5
EXACTMASS 340.13107375
AVERAGEMASS 340.3698
SMILES c(c(O)1)(O)ccc(CCC(c(c3O)ccc(c32)OC(C=C2)(C)C)=O)c1
M END
