Mol:FL1CBANS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 22 0 0 0 0 0 0 0 0999 V2000
-2.2321 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2321 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6758 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1195 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1195 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6758 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5632 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0069 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5492 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1053 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6663 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2273 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2273 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6663 0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1053 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5632 -0.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7882 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6758 -0.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7882 0.9674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5634 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1511 0.5467 0.0000 C 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
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 10 1 0 0 0 0
7 16 2 0 0 0 0
1 17 1 0 0 0 0
3 18 1 0 0 0 0
13 19 1 0 0 0 0
5 20 1 0 0 0 0
20 21 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 21
M SMT 1 OCH3
M SBV 1 21 -4.4150 2.9392
S SKP 8
ID FL1CBANS0001
KNApSAcK_ID C00006954
NAME Helichrysetin;4,2',4'-Trihydroxy-6'-methoxychalcone
CAS_RN 62014-87-3
FORMULA C16H14O5
EXACTMASS 286.084123558
AVERAGEMASS 286.27936
SMILES COc(c1)c(C(=O)C=Cc(c2)ccc(O)c2)c(O)cc(O)1
M END
