Mol:FL1C1ANI0033
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
30 31 0 0 0 0 0 0 0 0999 V2000
3.9296 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9296 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6441 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3585 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3585 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6441 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0730 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9296 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6441 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3585 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3585 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0730 0.4125 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
1 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 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
13 18 1 0 0 0 0
15 19 1 0 0 0 0
19 20 1 0 0 0 0
14 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
S SKP 8
ID FL1C1ANI0033
KNApSAcK_ID C00014460
NAME Xanthoangelol F;3'-Geranyl-2',4-dihydroxy-4'-methoxychalcone
CAS_RN 265652-71-9
FORMULA C26H30O4
EXACTMASS 406.21440944799997
AVERAGEMASS 406.51399999999995
SMILES c(c1)(C(C=Cc(c2)ccc(O)c2)=O)c(O)c(CC=C(CCC=C(C)C)C)c(OC)c1
M END
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