Mol:FL1AUNNF0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 29 0 0 0 0 0 0 0 0999 V2000
-0.7204 -0.4988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7204 0.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2396 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7588 0.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7588 -0.4988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2396 -0.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1502 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2023 -0.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1502 0.2860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6440 -0.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3642 0.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9605 1.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2043 0.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8647 0.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3834 0.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6428 0.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3834 1.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8647 1.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6053 0.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8647 -0.5813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1501 0.7403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2043 1.2561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7305 1.4671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0243 -1.4671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8089 -1.2122 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
1 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 2 1 0 0 0 0
8 10 1 0 0 0 0
3 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 4 1 0 0 0 0
10 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 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
10 20 2 0 0 0 0
16 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 17 1 0 0 0 0
7 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 28
M SMT 1 OCH3
M SBV 1 28 -4.8804 4.1219
S SKP 8
ID FL1AUNNF0002
KNApSAcK_ID C00008040
NAME Derriobtusone B
CAS_RN 61755-73-5
FORMULA C19H12O6
EXACTMASS 336.063388116
AVERAGEMASS 336.29498
SMILES c(c51)(OCO5)ccc(C(c(o4)c(c(c43)ccc(c32)occ2)OC)=O)c1
M END
