Mol:FL2FALNI0024
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
32 34 0 0 0 0 0 0 0 0999 V2000
-1.5827 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0618 -1.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5409 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5409 -0.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0618 -0.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5827 -0.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0200 -1.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5009 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5009 -0.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0200 -0.6464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0212 -0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0200 -2.3733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5556 -0.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0900 -0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0900 -0.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5556 0.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0212 -0.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0618 -2.4502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0618 0.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5827 0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1036 0.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5770 0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5827 1.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1030 1.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1030 2.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6234 2.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5827 2.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1036 -0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1030 -0.6467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4878 0.2783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5556 -1.5713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6234 0.2783 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
3 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 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 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 11 1 0 0 0 0
2 18 1 0 0 0 0
5 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
20 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
25 27 1 0 0 0 0
21 28 1 0 0 0 0
6 29 1 0 0 0 0
17 30 1 0 0 0 0
13 31 1 0 0 0 0
15 32 1 0 0 0 0
S SKP 8
ID FL2FALNI0024
KNApSAcK_ID C00008536
NAME Exiguaflavanone G
CAS_RN 156281-17-3
FORMULA C25H28O7
EXACTMASS 440.18350325
AVERAGEMASS 440.48562000000004
SMILES CC(=C)C(CC=C(C)C)Cc(c1O)c(O2)c(C(=O)CC(c(c3O)c(cc(c3)O)O)2)c(c1)O
M END
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