Mol:FLID1CNF0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 30 0 0 0 0 0 0 0 0999 V2000
-2.0196 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0196 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4633 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9070 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9070 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4633 0.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3507 -0.4138 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.2056 -0.0927 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.2056 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3507 0.8709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7617 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7617 -1.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3565 -1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9512 -1.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9512 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3565 -0.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3449 -1.1003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6306 0.7482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0081 0.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6306 -0.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6044 -1.3128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0081 -0.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6044 -0.2015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1853 1.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7488 2.3436 0.0000 C 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
1 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 2 1 0 0 0 0
14 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 15 1 0 0 0 0
6 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 29
M SMT 1 OCH3
M SVB 1 29 -1.1853 1.4439
S SKP 8
ID FLID1CNF0003
KNApSAcK_ID C00009646
NAME Ficinin;4-Methoxyneodulin
CAS_RN 10338-03-1
FORMULA C19H14O6
EXACTMASS 338.07903818
AVERAGEMASS 338.31086000000005
SMILES c(c56)c(O4)c(cc5OCO6)C(C41)COc(c3OC)c(cc(c32)cco2)1
M END
