Mol:FLIDHXNF0002
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
1.0385 -0.4167 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 2 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
8 25 1 0 0 0 0
S SKP 8
ID FLIDHXNF0002
KNApSAcK_ID C00009683
NAME Clandestacarpin
CAS_RN 79002-16-7
FORMULA C20H16O5
EXACTMASS 336.099773622
AVERAGEMASS 336.33804000000003
SMILES CC(=C)c(o1)cc(c25)c(ccc2C(C(CO5)(O)4)Oc(c43)cc(O)cc3)1
M END
