Mol:FL7DECNS0002
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 25 0 0 0 0 0 0 0 0999 V2000 | + | 23 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.7714 0.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7714 0.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7714 -0.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7714 -0.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0570 -0.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0570 -0.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3425 -0.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3425 -0.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3425 0.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3425 0.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0570 0.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0570 0.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6280 -0.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6280 -0.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0864 -0.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0864 -0.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0864 0.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0864 0.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6280 0.8035 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -0.6280 0.8035 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0570 -1.6715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0570 -1.6715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3903 0.7483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3903 0.7483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7524 0.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7524 0.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4669 0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4669 0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1814 0.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1814 0.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1814 1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1814 1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4669 2.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4669 2.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7524 1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7524 1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8155 1.9666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8155 1.9666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4705 -0.8376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4705 -0.8376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6486 -2.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6486 -2.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8435 0.4075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8435 0.4075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4705 1.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4705 1.5955 0.0000 C 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 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 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 3 11 1 0 0 0 0 | + | 3 11 1 0 0 0 0 |
| − | 1 12 1 0 0 0 0 | + | 1 12 1 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 11 21 1 0 0 0 0 | + | 11 21 1 0 0 0 0 |
| − | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
| − | 19 23 1 0 0 0 0 | + | 19 23 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7DECNS0002 | + | ID FL7DECNS0002 |
| − | KNApSAcK_ID C00014870 | + | KNApSAcK_ID C00014870 |
| − | NAME 5,4'-Dimethyl-6-hydroxyluteolinidin;6,7,3'-Trihydroxy-5,4'-dimethoxy-flavylium | + | NAME 5,4'-Dimethyl-6-hydroxyluteolinidin;6,7,3'-Trihydroxy-5,4'-dimethoxy-flavylium |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C17H17O6 | + | FORMULA C17H17O6 |
| − | EXACTMASS 317.10251327599997 | + | EXACTMASS 317.10251327599997 |
| − | AVERAGEMASS 317.31327999999996 | + | AVERAGEMASS 317.31327999999996 |
| − | SMILES COc(c3)c(O)cc(c3)C(C=2)=[O+1]C(=C1)C(C2)C(OC)=C(O)C(O)1 | + | SMILES COc(c3)c(O)cc(c3)C(C=2)=[O+1]C(=C1)C(C2)C(OC)=C(O)C(O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-2.7714 0.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7714 -0.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0570 -0.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3425 -0.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3425 0.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0570 0.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6280 -0.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0864 -0.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0864 0.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6280 0.8035 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
-2.0570 -1.6715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3903 0.7483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7524 0.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4669 0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1814 0.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1814 1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4669 2.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7524 1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8155 1.9666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4705 -0.8376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6486 -2.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8435 0.4075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4705 1.5955 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 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 5 1 0 0 0 0
3 11 1 0 0 0 0
1 12 1 0 0 0 0
9 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
16 19 1 0 0 0 0
2 20 1 0 0 0 0
11 21 1 0 0 0 0
15 22 1 0 0 0 0
19 23 1 0 0 0 0
S SKP 8
ID FL7DECNS0002
KNApSAcK_ID C00014870
NAME 5,4'-Dimethyl-6-hydroxyluteolinidin;6,7,3'-Trihydroxy-5,4'-dimethoxy-flavylium
CAS_RN -
FORMULA C17H17O6
EXACTMASS 317.10251327599997
AVERAGEMASS 317.31327999999996
SMILES COc(c3)c(O)cc(c3)C(C=2)=[O+1]C(=C1)C(C2)C(OC)=C(O)C(O)1
M END
