Mol:FL2FQUNM0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-1.8384 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3175 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7966 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7966 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3175 0.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8384 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2757 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2452 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2452 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2757 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7656 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2757 -1.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2999 0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8343 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8343 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2999 1.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7656 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3175 -1.2665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3587 0.4005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3587 -0.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3175 1.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3587 1.3203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7656 -0.4623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 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 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 11 1 0 0 0 0
2 18 1 0 0 0 0
6 19 1 0 0 0 0
1 20 1 0 0 0 0
5 21 1 0 0 0 0
15 22 2 0 0 0 0
11 23 1 0 0 0 0
S SKP 8
ID FL2FQUNM0003
KNApSAcK_ID C00008422
NAME Protofarrerol
CAS_RN 24211-29-8
FORMULA C17H18O6
EXACTMASS 318.110338308
AVERAGEMASS 318.32122
SMILES O=C(C3)C=CC(O)(C3)C(C2)Oc(c(C)1)c(C(=O)2)c(O)c(C)c(O)1
M END
