Mol:FL5FFANI0004
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
29 31 0 0 0 0 0 0 0 0999 V2000
-1.1318 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1318 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5755 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0192 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0192 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5755 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5371 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0934 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0934 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5371 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5371 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6495 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2165 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7834 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7834 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2165 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6495 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5755 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3503 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6879 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2428 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7965 -0.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3503 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7965 -1.4508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6879 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9594 -0.9911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8254 -1.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2975 1.0455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1390 1.9452 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 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 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 12 1 0 0 0 0
3 18 1 0 0 0 0
15 19 1 0 0 0 0
2 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
1 25 1 0 0 0 0
8 26 1 0 0 0 0
26 27 1 0 0 0 0
6 28 1 0 0 0 0
28 29 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 28 29
M SBL 2 1 30
M SMT 2 OCH3
M SVB 2 30 -0.2975 1.0455
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 28
M SMT 1 OCH3
M SVB 1 28 1.3037 -0.6761
S SKP 8
ID FL5FFANI0004
KNApSAcK_ID C00005011
NAME 5,7,4'-Trihydroxy-3,8-dimethoxy-6-prenylflavone;6-Prenylherbacetin 3,8-dimethyl ether;5,7-Dihydroxy-2-(4-hydroxyphenyl)-3,8-dimethoxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
CAS_RN 156298-97-4
FORMULA C22H22O7
EXACTMASS 398.136553058
AVERAGEMASS 398.40588
SMILES c(c3)(ccc(c3)C(O2)=C(OC)C(=O)c(c21)c(O)c(c(O)c(OC)1)CC=C(C)C)O
M END
</pre>
