Mol:FL2FALNI0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
32 34 0 0 0 0 0 0 0 0999 V2000
-1.5829 -1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0620 -1.9731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5411 -1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5411 -1.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0620 -0.7702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5829 -1.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0202 -1.9731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5007 -1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5007 -1.0709 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.0202 -0.7702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0210 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0202 -2.4970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5554 -1.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0898 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0898 -0.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5554 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0210 -0.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1037 -0.7702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0620 0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5829 0.7714 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.1037 0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0620 -2.5740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6241 0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6241 0.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1037 -0.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5829 1.3722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1032 1.6727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1032 2.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6236 2.5740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5829 2.5740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6638 0.4653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1639 1.3314 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
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 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 17 2 0 0 0 0
17 11 1 0 0 0 0
6 18 1 0 0 0 0
5 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
2 22 1 0 0 0 0
15 23 1 0 0 0 0
21 24 2 0 0 0 0
21 25 1 0 0 0 0
20 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
17 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 33
M SMT 1 OCH3
M SVB 1 33 0.6638 0.4653
S SKP 8
ID FL2FALNI0007
KNApSAcK_ID C00008433
NAME Leachianone A
CAS_RN 97938-31-3
FORMULA C26H30O6
EXACTMASS 438.204238692
AVERAGEMASS 438.51279999999997
SMILES C(c21)(=O)CC(c(c3OC)ccc(c3)O)Oc1c(c(O)cc2O)CC(C(C)=C)CC=C(C)C
M END
