Mol:FL3FA9NP0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 28 0 0 0 0 0 0 0 0999 V2000
-1.3680 -0.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3680 -0.6982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8117 -1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2554 -0.6982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2554 -0.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8117 0.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3009 -1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8572 -0.6982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8572 -0.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3009 0.2653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3009 -1.5203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4133 0.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9803 -0.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5472 0.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5472 0.9199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9803 1.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4133 0.9199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8117 0.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3680 1.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9243 0.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9243 0.2653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5472 0.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3197 1.5925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2481 -1.1800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5337 -1.5925 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
6 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 1 1 0 0 0 0
20 22 1 0 0 0 0
20 23 1 0 0 0 0
3 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 27
M SMT 1 OCH3
M SBV 1 27 -7.6578 3.7642
S SKP 8
ID FL3FA9NP0004
KNApSAcK_ID C00004047
NAME Isopongaflavone;Candidin (Tephrosia);5-Methoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
CAS_RN 64125-33-3
FORMULA C21H18O4
EXACTMASS 334.120509064
AVERAGEMASS 334.36521999999997
SMILES COc(c42)cc(O1)c(c2OC(=CC4=O)c(c3)cccc3)C=CC(C)(C)1
M END
