Mol:FL3F19NF0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 25 0 0 0 0 0 0 0 0999 V2000
-0.7652 -1.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7652 -0.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4796 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1941 -0.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1941 -1.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4796 -1.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0507 -1.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6638 -1.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6638 -0.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0507 0.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3783 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0927 -0.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8072 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8072 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0927 1.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3783 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0507 -2.4747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6512 0.8073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4716 0.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8072 0.1399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0927 2.0628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8060 2.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
1 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 2 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
3 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
20 4 1 0 0 0 0
15 21 1 0 0 0 0
21 22 1 0 0 0 0
S SKP 8
ID FL3F19NF0002
KNApSAcK_ID C00013448
NAME Cauliflorin A;Pongol methyl ether;2-(3-Methoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one
CAS_RN 73937-37-8
FORMULA C18H12O4
EXACTMASS 292.073558872
AVERAGEMASS 292.28548
SMILES C(c24)(=O)C=C(Oc2c(c3cc4)cco3)c(c1)cc(OC)cc1
M END
