Mol:FLIH1LNS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 25 0 0 0 0 0 0 0 0999 V2000
-2.2358 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2358 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6795 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1232 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1232 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6795 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5669 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0106 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0106 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5669 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5455 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5455 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1403 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7350 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7350 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1403 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0246 -1.1431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5455 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3882 -1.0262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7919 -0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3882 0.0850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7919 1.1573 0.0000 O 0 0 0 0 0 0 0 0 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
8 11 1 0 0 0 0
11 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 11 2 0 0 0 0
1 2 1 0 0 0 0
12 17 1 0 0 0 0
9 18 2 0 0 0 0
14 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 15 1 0 0 0 0
1 22 1 0 0 0 0
S SKP 8
ID FLIH1LNS0002
KNApSAcK_ID C00009782
NAME 7,2'-Dihydroxy-4',5'-methylenedioxy-3-phenylcoumarin
CAS_RN 54300-96-8
FORMULA C16H10O6
EXACTMASS 298.047738052
AVERAGEMASS 298.24699999999996
SMILES Oc(c4)cc(O3)c(c4)C=C(C(=O)3)c(c1)c(O)cc(O2)c(OC2)1
M END
