Mol:FL1DRTNS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 22 0 0 0 0 0 0 0 0999 V2000
-2.5457 0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5457 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9917 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4377 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4377 0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9917 0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8840 -0.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3315 -0.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2198 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7700 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3084 -0.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8467 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8467 0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3084 0.9302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7700 0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8840 -0.9586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0994 0.9585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3850 0.9301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0994 0.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8630 -0.4685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5775 -0.8810 0.0000 C 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
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 11 2 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 10 1 0 0 0 0
7 16 2 0 0 0 0
1 17 1 0 0 0 0
13 18 1 0 0 0 0
18 19 1 0 0 0 0
11 20 1 0 0 0 0
20 21 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 18 19
M SBL 1 1 19
M SMT 1 OCH3
M SBV 1 19 -6.3140 3.7339
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 20 21
M SBL 2 1 21
M SMT 2 OCH3
M SBV 2 21 -7.2976 3.2678
S SKP 8
ID FL1DRTNS0003
KNApSAcK_ID C00007925
NAME Loureirin A
CAS_RN 119425-89-7
FORMULA C17H18O4
EXACTMASS 286.120509064
AVERAGEMASS 286.32241999999997
SMILES COc(c1)cc(OC)c(CCC(=O)c(c2)ccc(O)c2)c1
M END
