Mol:FL4DAANP0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 29 0 0 0 0 0 0 0 0999 V2000 | + | 26 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.5837 -0.6142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5837 -0.6142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0628 -0.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0628 -0.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5419 -0.6142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5419 -0.6142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5419 -0.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5419 -0.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0628 0.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0628 0.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5837 -0.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5837 -0.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0210 -0.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0210 -0.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4999 -0.6142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4999 -0.6142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4999 -0.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4999 -0.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0210 0.2880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0210 0.2880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0202 0.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0202 0.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0210 -1.4388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0210 -1.4388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5546 -0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5546 -0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0889 0.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0889 0.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0889 0.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0889 0.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5546 1.2132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5546 1.2132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0202 0.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0202 0.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0202 -0.9146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0202 -0.9146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6224 1.2127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6224 1.2127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0628 -1.5158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0628 -1.5158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0628 0.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0628 0.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5837 1.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5837 1.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1046 0.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1046 0.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1046 0.2880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1046 0.2880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2724 1.5158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2724 1.5158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6224 0.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6224 0.8895 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 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 8 18 1 1 0 0 0 | + | 8 18 1 1 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 6 1 0 0 0 0 | + | 24 6 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DAANP0002 | + | ID FL4DAANP0002 |
| − | KNApSAcK_ID C00008620 | + | KNApSAcK_ID C00008620 |
| − | NAME 3,5,4'-Trihydroxy-4'',5''-dihydro-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone | + | NAME 3,5,4'-Trihydroxy-4'',5''-dihydro-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone |
| − | CAS_RN 523-60-4 | + | CAS_RN 523-60-4 |
| − | FORMULA C20H20O6 | + | FORMULA C20H20O6 |
| − | EXACTMASS 356.125988372 | + | EXACTMASS 356.125988372 |
| − | AVERAGEMASS 356.3692 | + | AVERAGEMASS 356.3692 |
| − | SMILES c(c4)c(ccc(O)4)C(O1)C(C(c(c(O)2)c1c(C3)c(OC(C3)(C)C)c2)=O)O | + | SMILES c(c4)c(ccc(O)4)C(O1)C(C(c(c(O)2)c1c(C3)c(OC(C3)(C)C)c2)=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/
26 29 0 0 0 0 0 0 0 0999 V2000
-1.5837 -0.6142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0628 -0.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5419 -0.6142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5419 -0.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0628 0.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5837 -0.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0210 -0.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4999 -0.6142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4999 -0.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0210 0.2880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0202 0.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0210 -1.4388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5546 -0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0889 0.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0889 0.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5546 1.2132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0202 0.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0202 -0.9146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6224 1.2127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0628 -1.5158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0628 0.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5837 1.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1046 0.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1046 0.2880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2724 1.5158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6224 0.8895 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
9 11 1 6 0 0 0
7 12 2 0 0 0 0
11 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 11 1 0 0 0 0
8 18 1 1 0 0 0
15 19 1 0 0 0 0
2 20 1 0 0 0 0
5 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 6 1 0 0 0 0
23 25 1 0 0 0 0
23 26 1 0 0 0 0
S SKP 8
ID FL4DAANP0002
KNApSAcK_ID C00008620
NAME 3,5,4'-Trihydroxy-4'',5''-dihydro-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone
CAS_RN 523-60-4
FORMULA C20H20O6
EXACTMASS 356.125988372
AVERAGEMASS 356.3692
SMILES c(c4)c(ccc(O)4)C(O1)C(C(c(c(O)2)c1c(C3)c(OC(C3)(C)C)c2)=O)O
M END
