Mol:FL2FABNI0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
32 34 0 0 0 0 0 0 0 0999 V2000
-2.2001 -1.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6792 -1.8262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1583 -1.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1583 -0.9240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6792 -0.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2001 -0.9240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6374 -1.8262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1166 -1.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1166 -0.9240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6374 -0.6233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4038 -0.6236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6374 -2.3501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9382 -0.9321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4725 -0.6236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4725 -0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9382 0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4038 -0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6792 -2.4271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7205 -0.6236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6792 -0.0224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1996 0.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1996 0.8789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7200 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6792 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9382 0.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3351 1.2565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3351 1.8334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8386 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8055 2.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3351 2.4271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0060 0.3015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7205 -0.1110 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
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
6 19 1 0 0 0 0
5 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
16 25 1 0 0 0 0
25 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
27 30 1 0 0 0 0
15 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 33
M SMT 1 OCH3
M SBV 1 33 -7.8764 3.9396
S SKP 8
ID FL2FABNI0006
KNApSAcK_ID C00008508
NAME 5,7-Dihydroxy-4'-methoxy-8-C-prenyl-3'-(3-hydroxy-3-methylbutyl)flavanone
CAS_RN 151922-21-3
FORMULA C26H32O6
EXACTMASS 440.219888756
AVERAGEMASS 440.52867999999995
SMILES C(C(c(c3)ccc(c(CCC(C)(C)O)3)OC)1)C(c(c(O)2)c(c(CC=C(C)C)c(O)c2)O1)=O
M END
