Mol:FLIBALNS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-1.8752 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8752 0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3748 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8743 0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8743 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3748 1.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3739 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1266 0.2883 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.1266 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3739 1.1551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3754 1.1549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3739 -0.5778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6267 -0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6267 -0.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0908 -0.8043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5549 -0.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5549 -0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0908 0.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3748 -0.5781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1635 -0.8038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4209 -1.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2869 -1.5365 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
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
1 11 1 0 0 0 0
7 12 2 0 0 0 0
8 13 1 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 18 1 0 0 0 0
18 13 2 0 0 0 0
3 19 1 0 0 0 0
14 20 1 0 0 0 0
16 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SVB 1 23 1.6609 -0.7426
S SKP 8
ID FLIBALNS0003
KNApSAcK_ID C00002524
NAME Ferreirin
CAS_RN 32898-79-6
FORMULA C16H14O6
EXACTMASS 302.07903818
AVERAGEMASS 302.27876000000003
SMILES COc(c3)cc(O)c(c3)C(C1)C(=O)c(c(O)2)c(cc(O)c2)O1
M END
