Mol:FL1C1ANP0016
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
29 31 0 0 0 0 0 0 0 0999 V2000
-2.5642 0.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5642 -0.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8497 -0.5774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1352 -0.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1352 0.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8497 1.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2787 1.0726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4208 -0.5774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2937 -0.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0082 -0.5774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0082 -1.4024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7226 -0.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4371 -0.5774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1516 -0.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1516 0.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4371 1.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7226 0.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4371 -1.4024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8661 -0.5774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5805 -0.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5805 0.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8661 1.0726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8627 1.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3930 0.5169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3220 -0.6024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0249 -0.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7608 -0.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7608 -1.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3930 -0.2564 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
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 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
14 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 15 1 0 0 0 0
21 23 1 0 0 0 0
21 24 1 0 0 0 0
2 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
S SKP 8
ID FL1C1ANP0016
KNApSAcK_ID C00014464
NAME Paratocarpin B;3-Prenyl-6'',6''-dimethylpyrano[2'',3'':4',3']-4,2'-dihydroxychalcone
CAS_RN 161099-57-6
FORMULA C25H26O4
EXACTMASS 390.18310931999997
AVERAGEMASS 390.47153999999995
SMILES C(C=Cc(c3)cc(c(O)c3)CC=C(C)C)(=O)c(c1O)ccc(O2)c1C=CC2(C)C
M END
