Mol:FLNA2ANS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-0.9985 1.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9985 0.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4981 0.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0024 0.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0024 1.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4981 1.5454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5028 0.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0033 0.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0033 1.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5028 1.5454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4987 0.3898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5028 -0.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0202 -0.4665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0202 -1.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5028 -1.3024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9854 -1.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9854 -0.4665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4987 1.5424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5028 -1.8593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3649 1.8593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8842 2.7139 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 2 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
2 11 1 0 0 0 0
7 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
9 18 2 0 0 0 0
15 19 1 0 0 0 0
1 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 22
M SMT 1 OCH3
M SVB 1 22 -1.3649 1.8593
S SKP 8
ID FLNA2ANS0001
KNApSAcK_ID C00002548
NAME Melannin;Melanettin
CAS_RN 58115-08-5
FORMULA C16H12O5
EXACTMASS 284.068473494
AVERAGEMASS 284.26348
SMILES COc(c3)c(O)cc(c23)C(=CC(=O)O2)c(c1)ccc(O)c1
M END
