Mol:FL2FALNI0035
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 36 38 0 0 0 0 0 0 0 0999 V2000 | + | 36 38 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.0300 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0300 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0114 -0.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0114 -0.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7658 -1.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7658 -1.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4206 -0.7894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4206 -0.7894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4348 0.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4348 0.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7091 0.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7091 0.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1755 -1.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1755 -1.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8493 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8493 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8401 0.0524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8401 0.0524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1562 0.4356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1562 0.4356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5546 0.4649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5546 0.4649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2457 0.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2457 0.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9570 0.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9570 0.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9775 1.3017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9775 1.3017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2658 1.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2658 1.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5454 1.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5454 1.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1755 -1.9566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1755 -1.9566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7444 0.4110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7444 0.4110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6793 1.7069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6793 1.7069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7658 -1.9065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7658 -1.9065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2457 -0.6371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2457 -0.6371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7256 1.6259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7256 1.6259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0737 2.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0737 2.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5445 1.6454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5445 1.6454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5445 0.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5445 0.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1850 2.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1850 2.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6780 -1.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6780 -1.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3925 -0.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3925 -0.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1070 -1.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1070 -1.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1070 -2.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1070 -2.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8214 -0.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8214 -0.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5359 -1.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5359 -1.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2504 -0.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2504 -0.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -4.9648 -2.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9648 -2.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.6793 -0.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.6793 -0.7777 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 |
| − | 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 12 21 1 0 0 0 0 | + | 12 21 1 0 0 0 0 |
| − | 6 22 1 0 0 0 0 | + | 6 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 2 27 1 0 0 0 0 | + | 2 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 34 36 1 0 0 0 0 | + | 34 36 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FALNI0035 | + | ID FL2FALNI0035 |
| − | KNApSAcK_ID C00014188 | + | KNApSAcK_ID C00014188 |
| − | NAME Macrourone C;5,7,2',4'-Tetrahydroxy-8-prenyl-6-geranylflavanone | + | NAME Macrourone C;5,7,2',4'-Tetrahydroxy-8-prenyl-6-geranylflavanone |
| − | CAS_RN 344423-27-4 | + | CAS_RN 344423-27-4 |
| − | FORMULA C30H36O6 | + | FORMULA C30H36O6 |
| − | EXACTMASS 492.251188884 | + | EXACTMASS 492.251188884 |
| − | AVERAGEMASS 492.60324 | + | AVERAGEMASS 492.60324 |
| − | SMILES c(O1)(c(CC=C(C)C)3)c(c(O)c(c(O)3)CC=C(C)CCC=C(C)C)C(CC1c(c(O)2)ccc(O)c2)=O | + | SMILES c(O1)(c(CC=C(C)C)3)c(c(O)c(c(O)3)CC=C(C)CCC=C(C)C)C(CC1c(c(O)2)ccc(O)c2)=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/
36 38 0 0 0 0 0 0 0 0999 V2000
-0.0300 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0114 -0.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7658 -1.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4206 -0.7894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4348 0.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7091 0.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1755 -1.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8493 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8401 0.0524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1562 0.4356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5546 0.4649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2457 0.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9570 0.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9775 1.3017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2658 1.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5454 1.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1755 -1.9566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7444 0.4110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6793 1.7069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7658 -1.9065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2457 -0.6371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7256 1.6259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0737 2.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5445 1.6454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5445 0.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1850 2.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6780 -1.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3925 -0.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1070 -1.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1070 -2.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8214 -0.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5359 -1.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2504 -0.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9648 -1.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9648 -2.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6793 -0.7777 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
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
1 18 1 0 0 0 0
14 19 1 0 0 0 0
3 20 1 0 0 0 0
12 21 1 0 0 0 0
6 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
2 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
34 35 1 0 0 0 0
34 36 1 0 0 0 0
S SKP 8
ID FL2FALNI0035
KNApSAcK_ID C00014188
NAME Macrourone C;5,7,2',4'-Tetrahydroxy-8-prenyl-6-geranylflavanone
CAS_RN 344423-27-4
FORMULA C30H36O6
EXACTMASS 492.251188884
AVERAGEMASS 492.60324
SMILES c(O1)(c(CC=C(C)C)3)c(c(O)c(c(O)3)CC=C(C)CCC=C(C)C)C(CC1c(c(O)2)ccc(O)c2)=O
M END
