Mol:FL1C1ANI0026
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
36 38 0 0 0 0 0 0 0 0999 V2000
-6.6704 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6710 0.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9568 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2421 0.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2426 1.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9558 1.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3849 1.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5276 -0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8132 0.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0987 -0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0987 -1.0303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3842 0.2072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6697 -0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9553 0.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9553 1.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2408 -0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4737 0.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1881 -0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1871 -1.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9011 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6161 -1.0321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6171 -0.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9026 0.2054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4727 -1.4428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9026 1.0304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3316 0.2054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3316 1.0304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9620 -0.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5760 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2690 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2680 -1.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9819 -1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6969 -1.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6979 -0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9840 0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3849 -1.4325 0.0000 O 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
4 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
10 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
14 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 18 1 0 0 0 0
19 24 1 0 0 0 0
23 25 1 0 0 0 0
22 26 1 0 0 0 0
26 27 2 0 0 0 0
26 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
30 31 2 0 0 0 0
31 32 1 0 0 0 0
32 33 2 0 0 0 0
33 34 1 0 0 0 0
34 35 2 0 0 0 0
35 30 1 0 0 0 0
33 36 1 0 0 0 0
S SKP 8
ID FL1C1ANI0026
KNApSAcK_ID C00014451
NAME Isogemichalcone B;3'-(4-Coumaroyloxy-3-methylbutyl-2(E)-enyl)-4,2',4'-trihydroxychalcone
CAS_RN 189031-28-5
FORMULA C29H26O7
EXACTMASS 486.167853186
AVERAGEMASS 486.51253999999994
SMILES c(c2C(=O)C=Cc(c3)ccc(O)c3)(O)c(c(O)cc2)CC=C(C)COC(=O)C=Cc(c1)ccc(c1)O
M END
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