Mol:FL1C1ANP0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
1.4155 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4155 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9718 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5281 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5281 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9718 0.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1585 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7148 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3976 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9585 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3976 -0.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9585 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5111 0.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0638 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0638 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5111 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5111 -0.9485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6164 0.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1691 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1691 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6164 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7216 0.9657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7989 0.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0844 0.9596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7989 0.5471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 8 1 0 0 0 0
10 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 10 1 0 0 0 0
16 17 1 0 0 0 0
14 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 15 1 0 0 0 0
19 22 1 0 0 0 0
19 23 1 0 0 0 0
5 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 26
M SMT 1 OCH3
M SBV 1 26 -5.5316 3.1252
S SKP 8
ID FL1C1ANP0004
KNApSAcK_ID C00007063
NAME 4-Methoxylonchocarpin
CAS_RN 51589-67-4
FORMULA C21H20O4
EXACTMASS 336.136159128
AVERAGEMASS 336.38109999999995
SMILES c(c3O)(ccc(c32)OC(C=C2)(C)C)C(=O)C=Cc(c1)ccc(OC)c1
M END
