Mol:FL2FAENI0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
37 39 0 0 0 0 0 0 0 0999 V2000
-2.4491 -0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4305 -1.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6534 -1.6101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9985 -1.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9844 -0.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7100 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2436 -1.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4302 -1.2336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4210 -0.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2629 0.0160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1354 0.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8265 -0.3412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5379 0.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5584 0.8821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8466 1.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1262 0.9117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2436 -2.4595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1636 -0.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6534 -2.4347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2524 -0.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8466 2.1951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7100 0.8095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4245 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4245 2.0470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1390 2.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7100 2.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0862 -1.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8007 -1.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5152 -1.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5152 -2.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2296 -1.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2602 1.2873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9458 0.8914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9020 0.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6207 -0.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6207 -1.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2296 -0.0435 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
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 6 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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
13 20 1 0 0 0 0
15 21 1 0 0 0 0
6 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
2 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
14 32 1 0 0 0 0
32 33 1 0 0 0 0
20 34 1 0 0 0 0
34 35 2 0 0 0 0
35 36 1 0 0 0 0
35 37 1 0 0 0 0
S SKP 8
ID FL2FAENI0003
KNApSAcK_ID C00014178
NAME Isoamoritin;5,7,3'-Trihydroxy-4'-methoxy-6,8,5'-triprenylflavanone
CAS_RN 212069-24-4
FORMULA C31H38O6
EXACTMASS 506.266838948
AVERAGEMASS 506.62982
SMILES CC(C)=CCc(c3O)c(c1c(c3CC=C(C)C)O)OC(c(c2)cc(c(c(CC=C(C)C)2)OC)O)CC1=O
M END
