Mol:FL63AGNN0005
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 38 0 0 0 0 0 0 0 0999 V2000 | + | 34 38 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.0509 -1.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0509 -1.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3403 -1.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3403 -1.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3703 -1.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3703 -1.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3703 -2.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3703 -2.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3403 -2.9665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3403 -2.9665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0509 -2.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0509 -2.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0809 -1.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0809 -1.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7914 -1.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7914 -1.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7914 -2.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7914 -2.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0809 -2.9665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0809 -2.9665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0809 -0.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0809 -0.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3806 -2.8964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3806 -2.8964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7426 -2.9556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7426 -2.9556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7615 -1.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7615 -1.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7615 -0.5050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7615 -0.5050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0509 -0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0509 -0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3403 -0.5050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3403 -0.5050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3806 -0.1475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3806 -0.1475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0509 0.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0509 0.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7326 1.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7326 1.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7326 1.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7326 1.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0509 2.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0509 2.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3692 1.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3692 1.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3692 1.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3692 1.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0509 2.9665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0509 2.9665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2801 2.1851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2801 2.1851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3687 -0.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3687 -0.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3687 0.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3687 0.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0809 1.0461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0809 1.0461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7930 0.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7930 0.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7930 -0.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7930 -0.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0809 1.6774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0809 1.6774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3157 0.9367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3157 0.9367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2125 2.2049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2125 2.2049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 7 11 1 1 0 0 0 | + | 7 11 1 1 0 0 0 |
| − | 9 12 2 0 0 0 0 | + | 9 12 2 0 0 0 0 |
| − | 6 13 1 0 0 0 0 | + | 6 13 1 0 0 0 0 |
| − | 1 14 1 0 0 0 0 | + | 1 14 1 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 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 2 1 0 0 0 0 | + | 17 2 1 0 0 0 0 |
| − | 15 18 1 6 0 0 0 | + | 15 18 1 6 0 0 0 |
| − | 16 19 1 6 0 0 0 | + | 16 19 1 6 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | 21 26 1 0 0 0 0 | + | 21 26 1 0 0 0 0 |
| − | 11 27 2 0 0 0 0 | + | 11 27 2 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 31 2 0 0 0 0 | + | 30 31 2 0 0 0 0 |
| − | 31 11 1 0 0 0 0 | + | 31 11 1 0 0 0 0 |
| − | 29 32 1 0 0 0 0 | + | 29 32 1 0 0 0 0 |
| − | 30 33 1 0 0 0 0 | + | 30 33 1 0 0 0 0 |
| − | 23 34 1 0 0 0 0 | + | 23 34 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL63AGNN0005 | + | ID FL63AGNN0005 |
| − | KNApSAcK_ID C00013264 | + | KNApSAcK_ID C00013264 |
| − | NAME Apocynin C;(2R,3R,10S)-10-(3,4-Dihydroxyphenyl)-3,4,9,10-tetrahydro-3,5-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H,8H-benzo[1,2-b:3,4-b']dipyran-8-one | + | NAME Apocynin C;(2R,3R,10S)-10-(3,4-Dihydroxyphenyl)-3,4,9,10-tetrahydro-3,5-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H,8H-benzo[1,2-b:3,4-b']dipyran-8-one |
| − | CAS_RN 246152-23-8 | + | CAS_RN 246152-23-8 |
| − | FORMULA C24H20O10 | + | FORMULA C24H20O10 |
| − | EXACTMASS 468.10564686 | + | EXACTMASS 468.10564686 |
| − | AVERAGEMASS 468.40959999999995 | + | AVERAGEMASS 468.40959999999995 |
| − | SMILES c(c1C(c25)CC(=O)Oc2cc(c(c35)CC(C(c(c4)cc(c(O)c(O)4)O)O3)O)O)cc(c(c1)O)O | + | SMILES c(c1C(c25)CC(=O)Oc2cc(c(c35)CC(C(c(c4)cc(c(O)c(O)4)O)O3)O)O)cc(c(c1)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 38 0 0 0 0 0 0 0 0999 V2000
1.0509 -1.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3403 -1.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3703 -1.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3703 -2.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3403 -2.9665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0509 -2.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0809 -1.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7914 -1.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7914 -2.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0809 -2.9665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0809 -0.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3806 -2.8964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7426 -2.9556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7615 -1.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7615 -0.5050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0509 -0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3403 -0.5050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3806 -0.1475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0509 0.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7326 1.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7326 1.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0509 2.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3692 1.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3692 1.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0509 2.9665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2801 2.1851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3687 -0.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3687 0.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0809 1.0461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7930 0.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7930 -0.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0809 1.6774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3157 0.9367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2125 2.2049 0.0000 O 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
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 4 1 0 0 0 0
7 11 1 1 0 0 0
9 12 2 0 0 0 0
6 13 1 0 0 0 0
1 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 2 1 0 0 0 0
15 18 1 6 0 0 0
16 19 1 6 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 19 1 0 0 0 0
22 25 1 0 0 0 0
21 26 1 0 0 0 0
11 27 2 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
30 31 2 0 0 0 0
31 11 1 0 0 0 0
29 32 1 0 0 0 0
30 33 1 0 0 0 0
23 34 1 0 0 0 0
S SKP 8
ID FL63AGNN0005
KNApSAcK_ID C00013264
NAME Apocynin C;(2R,3R,10S)-10-(3,4-Dihydroxyphenyl)-3,4,9,10-tetrahydro-3,5-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H,8H-benzo[1,2-b:3,4-b']dipyran-8-one
CAS_RN 246152-23-8
FORMULA C24H20O10
EXACTMASS 468.10564686
AVERAGEMASS 468.40959999999995
SMILES c(c1C(c25)CC(=O)Oc2cc(c(c35)CC(C(c(c4)cc(c(O)c(O)4)O)O3)O)O)cc(c(c1)O)O
M END
