Mol:FL7ARXNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 36 0 0 0 0 0 0 0 0999 V2000
-2.1385 -1.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1385 -2.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4240 -2.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7096 -2.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7096 -1.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4240 -0.9649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0049 -2.6149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7194 -2.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7194 -1.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0049 -0.9649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4338 -2.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1483 -2.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1483 -1.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4338 -0.9649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0049 -0.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7096 0.2726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4240 -0.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4338 -0.1399 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.7194 0.2726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7194 1.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4338 1.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4338 2.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7194 2.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0049 2.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0049 1.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7194 3.3911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5649 2.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1029 0.2520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8065 -2.5881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4240 -3.3911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8065 -2.5824 0.0000 O 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
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
8 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 9 1 0 0 0 0
10 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 6 1 0 0 0 0
14 18 1 0 0 0 0
18 19 2 0 0 0 0
19 15 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 20 1 0 0 0 0
23 26 1 0 0 0 0
24 27 1 0 0 0 0
17 28 2 0 0 0 0
2 29 1 0 0 0 0
3 30 1 0 0 0 0
12 31 1 0 0 0 0
S SKP 8
ID FL7ARXNS0001
KNApSAcK_ID C00014864
NAME Rosacyanin B;11-(3,4-Dihydroxyphenyl)-4,5,8-trihydroxy-2-oxo-2H-1,6-dioxa-10-oxoniabenzo[cd]pyrene
CAS_RN 350484-25-2
FORMULA C22H11O9
EXACTMASS 419.04030695000006
AVERAGEMASS 419.31734
SMILES c(c(c([o+1]6)c(O4)c(c23)c(c56)c(cc(c5)O)Oc(c(c(cc3C(=O)4)O)O)2)1)cc(c(O)c1)O
M END
