Mol:FL3F19NF0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 25 0 0 0 0 0 0 0 0999 V2000
-1.6788 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6788 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1225 -1.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5662 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5662 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1225 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0099 -1.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5464 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5464 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0099 0.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0099 -1.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1025 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6694 -0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2364 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2364 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6694 1.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1025 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2898 -0.0089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6673 -0.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2898 -1.0483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9529 1.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6673 1.2593 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
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 2 1 0 0 0 0
16 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 24
M SMT 1 OCH3
M SBV 1 24 -6.9600 8.2887
S SKP 8
ID FL3F19NF0001
KNApSAcK_ID C00004049
NAME Pongone;7-(3-Methoxyphenyl)-5H-furo[3,2-g][1]benzopyran-5-one
CAS_RN 114687-96-6
FORMULA C18H12O4
EXACTMASS 292.073558872
AVERAGEMASS 292.28548
SMILES C(c13)(=O)C=C(c(c4)cc(OC)cc4)Oc1cc(c2c3)occ2
M END
