Mol:FL3F2CNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-2.2410 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2410 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6847 -1.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1284 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1284 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6847 0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5721 -1.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0158 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0158 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5721 0.0746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5721 -1.7110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5403 0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1072 -0.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6742 0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6742 0.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1072 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5403 0.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7971 0.0745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1072 1.7110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9555 -0.7975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2410 -1.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2410 1.0564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9555 0.6439 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 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 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 17 2 0 0 0 0
17 12 1 0 0 0 0
1 18 1 0 0 0 0
16 19 1 0 0 0 0
2 20 1 0 0 0 0
20 21 1 0 0 0 0
15 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 ^OCH3
M SBV 1 22 -5.4058 2.5261
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SBV 2 24 -4.1245 2.7619
S SKP 8
ID FL3F2CNS0001
KNApSAcK_ID C00003872
NAME Abrectorin
CAS_RN 76575-03-6
FORMULA C17H14O6
EXACTMASS 314.07903818
AVERAGEMASS 314.28945999999996
SMILES COc(c3)c(O)cc(c3)C(=C1)Oc(c2)c(cc(OC)c(O)2)C(=O)1
M END
