Mol:FL7ARXNS0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 36 0 0 0 0 0 0 0 0999 V2000 | + | 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 -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 | + | -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 | + | -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 -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 | + | -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 | + | -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 | + | 0.0049 -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 -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 | + | 0.7194 -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 | + | 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 | + | 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 -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 | + | 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 | + | 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 | + | 0.0049 -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 | + | -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 | + | -1.4240 -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 | + | 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 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 | + | 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 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 | + | 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 | + | 0.7194 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 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 | + | 0.0049 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 | + | 0.7194 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 | + | -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 | + | -2.1029 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 | + | -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 | + | -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 | + | 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 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 9 1 0 0 0 0 | + | 14 9 1 0 0 0 0 |
| − | 10 15 2 0 0 0 0 | + | 10 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 6 1 0 0 0 0 | + | 17 6 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
| − | 24 27 1 0 0 0 0 | + | 24 27 1 0 0 0 0 |
| − | 17 28 2 0 0 0 0 | + | 17 28 2 0 0 0 0 |
| − | 2 29 1 0 0 0 0 | + | 2 29 1 0 0 0 0 |
| − | 3 30 1 0 0 0 0 | + | 3 30 1 0 0 0 0 |
| − | 12 31 1 0 0 0 0 | + | 12 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7ARXNS0001 | + | ID FL7ARXNS0001 |
| − | KNApSAcK_ID C00014864 | + | KNApSAcK_ID C00014864 |
| − | NAME Rosacyanin B;11-(3,4-Dihydroxyphenyl)-4,5,8-trihydroxy-2-oxo-2H-1,6-dioxa-10-oxoniabenzo[cd]pyrene | + | 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 | + | CAS_RN 350484-25-2 |
| − | FORMULA C22H11O9 | + | FORMULA C22H11O9 |
| − | EXACTMASS 419.04030695000006 | + | EXACTMASS 419.04030695000006 |
| − | AVERAGEMASS 419.31734 | + | 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 | + | 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 | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
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
