Mol:FL4DA9NM0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 26 0 0 0 0 0 0 0 0999 V2000 | + | 24 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6002 -0.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6002 -0.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0793 -0.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0793 -0.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5584 -0.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5584 -0.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5584 0.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5584 0.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0793 0.6955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0793 0.6955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6002 0.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6002 0.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0375 -0.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0375 -0.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4834 -0.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4834 -0.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4834 0.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4834 0.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0375 0.6955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0375 0.6955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0375 -1.0314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0375 -1.0314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0793 -1.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0793 -1.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1069 0.6873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1069 0.6873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9264 -0.6498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9264 -0.6498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0631 0.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0631 0.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5918 0.3889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5918 0.3889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1205 0.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1205 0.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1205 1.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1205 1.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5918 1.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5918 1.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0631 1.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0631 1.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3913 -1.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3913 -1.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3913 -1.6100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3913 -1.6100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9353 -0.8005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9353 -0.8005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1205 -0.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1205 -0.5072 0.0000 C 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 |
| − | 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 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 2 12 1 0 0 0 0 | + | 2 12 1 0 0 0 0 |
| − | 6 13 1 0 0 0 0 | + | 6 13 1 0 0 0 0 |
| − | 8 14 1 1 0 0 0 | + | 8 14 1 1 0 0 0 |
| − | 9 15 1 6 0 0 0 | + | 9 15 1 6 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 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 1 24 1 0 0 0 0 | + | 1 24 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DA9NM0002 | + | ID FL4DA9NM0002 |
| − | KNApSAcK_ID C00008748 | + | KNApSAcK_ID C00008748 |
| − | NAME 3,5,7-Trihydroxy-6-methylflavanone 3-acetate | + | NAME 3,5,7-Trihydroxy-6-methylflavanone 3-acetate |
| − | CAS_RN 111545-19-8 | + | CAS_RN 111545-19-8 |
| − | FORMULA C18H16O6 | + | FORMULA C18H16O6 |
| − | EXACTMASS 328.094688244 | + | EXACTMASS 328.094688244 |
| − | AVERAGEMASS 328.31604 | + | AVERAGEMASS 328.31604 |
| − | SMILES c(c1O)(C)c(O)cc(O2)c1C(C(C(c(c3)cccc3)2)OC(C)=O)=O | + | SMILES c(c1O)(C)c(O)cc(O2)c1C(C(C(c(c3)cccc3)2)OC(C)=O)=O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 0 0 0 0 0 0999 V2000
-1.6002 -0.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0793 -0.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5584 -0.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5584 0.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0793 0.6955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6002 0.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0375 -0.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4834 -0.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4834 0.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0375 0.6955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0375 -1.0314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0793 -1.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1069 0.6873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9264 -0.6498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0631 0.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5918 0.3889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1205 0.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1205 1.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5918 1.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0631 1.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3913 -1.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3913 -1.6100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9353 -0.8005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1205 -0.5072 0.0000 C 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
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 2 0 0 0 0
2 12 1 0 0 0 0
6 13 1 0 0 0 0
8 14 1 1 0 0 0
9 15 1 6 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 19 1 0 0 0 0
19 20 2 0 0 0 0
20 15 1 0 0 0 0
14 21 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
1 24 1 0 0 0 0
S SKP 8
ID FL4DA9NM0002
KNApSAcK_ID C00008748
NAME 3,5,7-Trihydroxy-6-methylflavanone 3-acetate
CAS_RN 111545-19-8
FORMULA C18H16O6
EXACTMASS 328.094688244
AVERAGEMASS 328.31604
SMILES c(c1O)(C)c(O)cc(O2)c1C(C(C(c(c3)cccc3)2)OC(C)=O)=O
M END
