Mol:FL2FAANP0017
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8157 -0.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8157 -0.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7971 -1.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7971 -1.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0199 -1.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0199 -1.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3651 -1.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3651 -1.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3509 -0.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3509 -0.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0766 0.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0766 0.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3898 -1.5268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3898 -1.5268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0636 -1.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0636 -1.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0544 -0.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0544 -0.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3705 0.1237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3705 0.1237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7689 0.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7689 0.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4600 -0.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4600 -0.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1674 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1674 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1963 0.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1963 0.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4800 1.4195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4800 1.4195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7597 1.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7597 1.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3898 -2.2686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3898 -2.2686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0199 -2.3509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0199 -2.3509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7686 1.3122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7686 1.3122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5211 0.0724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5211 0.0724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2079 -0.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2079 -0.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1893 -1.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1893 -1.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4839 -1.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4839 -1.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0766 0.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0766 0.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8616 1.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8616 1.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7413 0.1878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7413 0.1878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7686 -0.6693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7686 -0.6693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4810 0.9798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4810 0.9798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8616 2.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8616 2.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2636 2.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2636 2.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4145 2.3248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4145 2.3248 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 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 |
| − | 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 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 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 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 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 2 1 0 0 0 0 | + | 23 2 1 0 0 0 0 |
| − | 6 24 1 0 0 0 0 | + | 6 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 21 26 1 0 0 0 0 | + | 21 26 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 29 30 2 0 0 0 0 | + | 29 30 2 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FAANP0017 | + | ID FL2FAANP0017 |
| − | KNApSAcK_ID C00014250 | + | KNApSAcK_ID C00014250 |
| − | NAME Dereticulatin;5,4'-Dihydroxy-8-(2-hydroxy-3-methylbutyl-3-enyl)-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone | + | NAME Dereticulatin;5,4'-Dihydroxy-8-(2-hydroxy-3-methylbutyl-3-enyl)-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone |
| − | CAS_RN 193551-72-3 | + | CAS_RN 193551-72-3 |
| − | FORMULA C25H26O6 | + | FORMULA C25H26O6 |
| − | EXACTMASS 422.172938564 | + | EXACTMASS 422.172938564 |
| − | AVERAGEMASS 422.47033999999996 | + | AVERAGEMASS 422.47033999999996 |
| − | SMILES C(C=1)(C)(C)Oc(c4CC(C(C)=C)O)c(c(O)c(c43)C(=O)CC(O3)c(c2)ccc(c2)O)C1 | + | SMILES C(C=1)(C)(C)Oc(c4CC(C(C)=C)O)c(c(O)c(c43)C(=O)CC(O3)c(c2)ccc(c2)O)C1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-1.8157 -0.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7971 -1.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0199 -1.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3651 -1.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3509 -0.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0766 0.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3898 -1.5268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0636 -1.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0544 -0.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3705 0.1237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7689 0.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4600 -0.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1674 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1963 0.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4800 1.4195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7597 1.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3898 -2.2686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0199 -2.3509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7686 1.3122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5211 0.0724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2079 -0.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1893 -1.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4839 -1.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0766 0.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8616 1.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7413 0.1878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7686 -0.6693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4810 0.9798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8616 2.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2636 2.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4145 2.3248 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 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 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 5 1 0 0 0 0
9 11 1 6 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 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
3 18 1 0 0 0 0
14 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 2 1 0 0 0 0
6 24 1 0 0 0 0
24 25 1 0 0 0 0
21 26 1 0 0 0 0
21 27 1 0 0 0 0
25 28 1 0 0 0 0
25 29 1 0 0 0 0
29 30 2 0 0 0 0
29 31 1 0 0 0 0
S SKP 8
ID FL2FAANP0017
KNApSAcK_ID C00014250
NAME Dereticulatin;5,4'-Dihydroxy-8-(2-hydroxy-3-methylbutyl-3-enyl)-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone
CAS_RN 193551-72-3
FORMULA C25H26O6
EXACTMASS 422.172938564
AVERAGEMASS 422.47033999999996
SMILES C(C=1)(C)(C)Oc(c4CC(C(C)=C)O)c(c(O)c(c43)C(=O)CC(O3)c(c2)ccc(c2)O)C1
M END
