Mol:FL4DF9NI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0129 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0129 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2994 0.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2994 0.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0080 -0.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0080 -0.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2902 -1.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2902 -1.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4205 -0.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4205 -0.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4169 0.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4169 0.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1386 -1.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1386 -1.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8503 -0.6154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8503 -0.6154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8449 0.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8449 0.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1295 0.6174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1295 0.6174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5593 0.6221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5593 0.6221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2747 0.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2747 0.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9883 0.6308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9883 0.6308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9832 1.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9832 1.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2681 1.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2681 1.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5552 1.4487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5552 1.4487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1386 -1.8576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1386 -1.8576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2902 -1.8639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2902 -1.8639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7274 0.6064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7274 0.6064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5648 -1.0279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5648 -1.0279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2994 1.3943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2994 1.3943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9506 1.7702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9506 1.7702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7594 -1.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7594 -1.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5060 -0.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5060 -0.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2962 -1.0901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2962 -1.0901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2962 -1.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2962 -1.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9883 -0.6906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9883 -0.6906 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 |
| − | 1 3 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 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 6 1 0 0 0 0 | + | 10 6 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 |
| − | 4 18 1 0 0 0 0 | + | 4 18 1 0 0 0 0 |
| − | 8 20 1 1 0 0 0 | + | 8 20 1 1 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 3 23 1 0 0 0 0 | + | 3 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DF9NI0001 | + | ID FL4DF9NI0001 |
| − | KNApSAcK_ID C00014380 | + | KNApSAcK_ID C00014380 |
| − | NAME Dioclenol;3,5,7-Trihydroxy-8-methoxy-6-prenylflavanone | + | NAME Dioclenol;3,5,7-Trihydroxy-8-methoxy-6-prenylflavanone |
| − | CAS_RN 197379-44-5 | + | CAS_RN 197379-44-5 |
| − | FORMULA C21H22O6 | + | FORMULA C21H22O6 |
| − | EXACTMASS 370.141638436 | + | EXACTMASS 370.141638436 |
| − | AVERAGEMASS 370.39578 | + | AVERAGEMASS 370.39578 |
| − | SMILES COc(c31)c(c(CC=C(C)C)c(c1C(C(O)C(O3)c(c2)cccc2)=O)O)O | + | SMILES COc(c31)c(c(CC=C(C)C)c(c1C(C(O)C(O3)c(c2)cccc2)=O)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/
27 29 0 0 0 0 0 0 0 0999 V2000
-1.0129 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2994 0.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0080 -0.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2902 -1.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4205 -0.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4169 0.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1386 -1.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8503 -0.6154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8449 0.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1295 0.6174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5593 0.6221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2747 0.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9883 0.6308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9832 1.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2681 1.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5552 1.4487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1386 -1.8576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2902 -1.8639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7274 0.6064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5648 -1.0279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2994 1.3943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9506 1.7702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7594 -1.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5060 -0.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2962 -1.0901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2962 -1.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9883 -0.6906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 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 2 1 0 0 0 0
5 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 6 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
4 18 1 0 0 0 0
8 20 1 1 0 0 0
1 19 1 0 0 0 0
2 21 1 0 0 0 0
21 22 1 0 0 0 0
3 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
25 27 1 0 0 0 0
S SKP 8
ID FL4DF9NI0001
KNApSAcK_ID C00014380
NAME Dioclenol;3,5,7-Trihydroxy-8-methoxy-6-prenylflavanone
CAS_RN 197379-44-5
FORMULA C21H22O6
EXACTMASS 370.141638436
AVERAGEMASS 370.39578
SMILES COc(c31)c(c(CC=C(C)C)c(c1C(C(O)C(O3)c(c2)cccc2)=O)O)O
M END
