Mol:FL63ACNC0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 28 0 0 0 0 0 0 0 0999 V2000
-1.6849 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6849 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1286 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5723 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5723 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1286 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0160 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5403 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5403 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0160 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0964 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6633 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2303 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2303 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6633 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0964 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2410 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7971 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1286 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0964 -1.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6633 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1288 0.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6849 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2410 0.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7971 1.1083 0.0000 O 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 6 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
1 17 1 0 0 0 0
14 18 1 0 0 0 0
3 19 1 0 0 0 0
8 20 1 1 0 0 0
15 21 1 0 0 0 0
6 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 17 1 0 0 0 0
24 25 2 0 0 0 0
S SKP 8
ID FL63ACNC0001
KNApSAcK_ID C00008968
NAME Phyllocoumarin
CAS_RN 124902-13-2
FORMULA C18H14O7
EXACTMASS 342.073952802
AVERAGEMASS 342.29956000000004
SMILES C(C3c(c4)cc(O)c(O)c4)(O)Cc(c(O)2)c(O3)c(c1c2)C=CC(=O)O1
M END
