Mol:FL1CA9NM0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 22 0 0 0 0 0 0 0 0999 V2000
-1.9517 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9517 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3953 -0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8390 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8390 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3953 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2827 -0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2736 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8297 -0.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3857 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9467 -0.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5077 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5077 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9467 0.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3857 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2827 -1.1437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3953 1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5077 0.6422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3953 -1.2845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2830 0.6422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4315 0.2297 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 11 2 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 10 1 0 0 0 0
7 16 2 0 0 0 0
6 17 1 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
5 20 1 0 0 0 0
20 21 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 21
M SMT 1 OCH3
M SBV 1 21 -5.0214 3.9216
S SKP 8
ID FL1CA9NM0001
KNApSAcK_ID C00007040
NAME Aurentiacin A
CAS_RN 60433-78-5
FORMULA C17H16O4
EXACTMASS 284.104859
AVERAGEMASS 284.30654
SMILES COc(c(C)1)c(C(=O)C=Cc(c2)cccc2)c(O)cc(O)1
M END
