Mol:FL5FDCNI0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
28 30 0 0 0 0 0 0 0 0999 V2000
-1.1318 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1318 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5755 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0192 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0192 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5755 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5371 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0934 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0934 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5371 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5371 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6495 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2165 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7834 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7834 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2165 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6495 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5755 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3503 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6879 -1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2428 -0.8190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7965 -1.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3503 -0.8190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7965 -1.7781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6879 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2165 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9594 -1.3183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8255 -1.8182 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
16 26 1 0 0 0 0
8 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 27 28
M SBL 1 1 29
M SMT 1 OCH3
M SVB 1 29 1.3037 -1.0033
S SKP 8
ID FL5FDCNI0002
KNApSAcK_ID C00005015
NAME 5,7,3',4'-Tetrahydroxy-3-methoxy-6-prenylflavone
CAS_RN 151649-34-2
FORMULA C21H20O7
EXACTMASS 384.120902994
AVERAGEMASS 384.37929999999994
SMILES C(c(c1O)c(O)cc(O2)c1C(C(=C2c(c3)cc(c(O)c3)O)OC)=O)C=C(C)C
M END
