Mol:FL1CA9NI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 25 0 0 0 0 0 0 0 0999 V2000
2.2885 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2885 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8448 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4011 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4011 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8448 0.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0315 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5878 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4754 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0855 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4754 -0.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0855 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6381 0.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1908 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1908 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6381 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6381 -0.9486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2961 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7434 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8486 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4011 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8486 -0.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7433 0.9657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4670 0.9657 0.0000 O 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
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 8 1 0 0 0 0
10 12 2 0 0 0 0
12 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 10 1 0 0 0 0
17 16 1 0 0 0 0
18 19 1 0 0 0 0
19 15 1 0 0 0 0
18 20 2 0 0 0 0
20 21 1 0 0 0 0
20 22 1 0 0 0 0
14 23 1 0 0 0 0
12 24 1 0 0 0 0
S SKP 8
ID FL1CA9NI0001
KNApSAcK_ID C00007078
NAME Desmethylisoxanthohumol
CAS_RN 72247-78-0
FORMULA C20H20O4
EXACTMASS 324.136159128
AVERAGEMASS 324.37039999999996
SMILES C(c(c1O)c(cc(c1C(=O)C=Cc(c2)cccc2)O)O)C=C(C)C
M END
