Mol:FL2F18NC0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
39 43 0 0 0 0 0 0 0 0999 V2000
-1.4210 -1.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4068 -0.2647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6661 -1.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0077 -1.1141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0015 -0.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6854 0.1355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7130 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6661 -2.2568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4274 -0.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1419 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1419 0.9897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4274 1.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7130 0.9897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1141 0.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8356 -0.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8356 -1.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1141 -1.4897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5499 0.1723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2643 -0.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2643 -1.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5499 -1.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9582 0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8996 -0.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1141 0.8789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7395 1.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7395 1.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1820 2.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2970 2.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0754 1.3578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4274 2.1494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4274 -0.9198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8809 -0.2619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8809 -1.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5954 -1.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3098 -1.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3098 -0.2619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5954 0.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5954 0.8793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9582 -1.4613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 2 1 0 0 0 0
5 7 1 6 0 0 0
3 8 2 0 0 0 0
7 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 7 1 0 0 0 0
2 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 1 1 0 0 0 0
15 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 16 1 0 0 0 0
19 22 1 0 0 0 0
19 23 1 0 0 0 0
14 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
13 29 1 0 0 0 0
12 30 1 0 0 0 0
9 31 1 0 0 0 0
10 32 1 0 0 0 0
32 33 2 0 0 0 0
33 34 1 0 0 0 0
34 35 2 0 0 0 0
35 36 1 0 0 0 0
36 37 2 0 0 0 0
37 32 1 0 0 0 0
37 38 1 0 0 0 0
35 39 1 0 0 0 0
S SKP 8
ID FL2F18NC0001
KNApSAcK_ID C00014262
NAME Eriosemaone C;(S)-2',3',6'-Trihydroxy-8-prenyl-5'-(2,4-dihydroxyphenyl)-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone
CAS_RN 168010-15-9
FORMULA C31H30O8
EXACTMASS 530.194067936
AVERAGEMASS 530.5651
SMILES O(c51)C(C=Cc(cc(c(c5CC=C(C)C)2)C(=O)CC(c(c3O)c(O)c(c(c4)c(O)cc(O)c4)cc3O)O2)1)(C)C
M END
