Mol:FLID1ANI0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 27 0 0 0 0 0 0 0 0999 V2000
-1.4496 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4496 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8933 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3370 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3370 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8933 1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2193 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7756 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7756 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2193 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3317 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3317 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9265 -0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5213 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5213 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9265 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2252 -0.5279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1155 -0.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0059 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0057 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0057 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5606 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5606 -1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1155 -0.4821 0.0000 C 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 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
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
7 17 1 0 0 0 0
1 2 1 0 0 0 0
12 17 1 0 0 0 0
14 18 1 0 0 0 0
1 19 1 0 0 0 0
2 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
S SKP 8
ID FLID1ANI0002
KNApSAcK_ID C00009642
NAME Calocarpin;3,9-Dihydroxy-2-prenylpterocarpan
CAS_RN 53802-77-0
FORMULA C20H20O4
EXACTMASS 324.136159128
AVERAGEMASS 324.37039999999996
SMILES O(C21)c(c4)c(ccc(O)4)C1COc(c3)c2cc(c(O)3)CC=C(C)C
M END
