Mol:FL5FDCNI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
29 31 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
2.2165 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4891 0.4428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9891 1.3088 0.0000 C 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
16 25 1 0 0 0 0
1 26 1 0 0 0 0
26 27 1 0 0 0 0
8 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 1.3037 -1.0033
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 -1.4891 0.4428
S SKP 8
ID FL5FDCNI0001
KNApSAcK_ID C00005014
NAME 5,3',4'-Trihydroxy-3,7-dimethoxy-6-prenylflavone;6-Prenylquercetin 3-methyl ether;2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
CAS_RN 151649-35-3
FORMULA C22H22O7
EXACTMASS 398.136553058
AVERAGEMASS 398.40588
SMILES O(C)c(c3CC=C(C)C)cc(O1)c(c3O)C(C(OC)=C1c(c2)ccc(c2O)O)=O
M END
