Mol:FL5FDCNI0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
28 30 0 0 0 0 0 0 0 0999 V2000
-2.5280 -0.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5280 -0.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9717 -1.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4154 -0.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4154 -0.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9717 0.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8591 -1.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3028 -0.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3028 -0.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8591 0.1612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8591 -1.6244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2533 0.1611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8203 -0.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3872 0.1611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3872 0.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8203 1.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2533 0.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0841 0.1611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9717 -1.7657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8203 1.7976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9541 1.1430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9541 -0.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9541 -0.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5197 -1.1459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5197 -1.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0841 -0.8200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5632 -1.3023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4293 -1.8022 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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
16 20 1 0 0 0 0
15 21 1 0 0 0 0
14 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
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 -0.1039 -1.0086
S SKP 8
ID FL5FDCNI0004
KNApSAcK_ID C00005116
NAME 5,7,3',4'-Tetrahydroxy-3-methoxy-5'-prenylflavone;2-[3,4-Dihydroxy-5-(3-methyl-2-butenyl)phenyl]-5,7-dihydroxy-3-methoxy-4H-1-benzopyran-4-one
CAS_RN 150853-98-8
FORMULA C21H20O7
EXACTMASS 384.120902994
AVERAGEMASS 384.37929999999994
SMILES O(c21)C(c(c3)cc(c(O)c(O)3)CC=C(C)C)=C(C(=O)c1c(cc(O)c2)O)OC
M END
