Mol:FLIDAANF0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 29 0 0 0 0 0 0 0 0999 V2000
-1.6936 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6936 -0.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1373 -1.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5810 -0.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5810 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1373 0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0247 -1.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5316 -0.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5316 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0247 0.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0877 -1.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0877 -1.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6825 -2.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2773 -1.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2773 -1.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6825 -0.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0188 -1.7170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8715 -2.0603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2708 0.8825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9097 0.9496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1710 0.3628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2307 1.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9104 2.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8715 1.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1373 -1.6727 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 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
6 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 1 1 0 0 0 0
20 22 1 0 0 0 0
22 23 2 0 0 0 0
22 24 1 0 0 0 0
3 25 1 0 0 0 0
S SKP 8
ID FLIDAANF0001
KNApSAcK_ID C00009645
NAME Apiocarpin
CAS_RN 83919-96-4
FORMULA C20H18O5
EXACTMASS 338.115423686
AVERAGEMASS 338.35392
SMILES c(c25)(c1cc(c2C(C(CO5)3)Oc(c4)c3ccc(O)4)O)CC(O1)C(C)=C
M END
