Mol:FL2FAANI0010
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-1.9630 -0.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9630 -1.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -1.9144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 -1.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 -0.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -0.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -1.9144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -1.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -0.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -0.6297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 -0.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 -0.9572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 -0.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 0.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 0.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 0.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -2.4582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -2.5566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5191 -0.6298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -0.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9628 0.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9628 0.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5189 1.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4079 1.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5191 0.3521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 1.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9521 1.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9521 1.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4019 1.6516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2719 2.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4831 2.4396 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 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 11 1 0 0 0 0
7 17 2 0 0 0 0
3 18 1 0 0 0 0
1 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
14 25 1 0 0 0 0
15 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
29 28 1 0 0 0 0
28 30 1 0 0 0 0
28 31 1 0 0 0 0
S SKP 8
ID FL2FAANI0010
KNApSAcK_ID C00008272
NAME Flemiflavanone D
CAS_RN 81656-59-9
FORMULA C25H28O6
EXACTMASS 424.188588628
AVERAGEMASS 424.48622
SMILES c(c12)(C(CC(c(c3)cc(CC(C(C)(C)4)O4)c(O)c3)O2)=O)c(cc(O)c1CC=C(C)C)O
M END
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