Mol:FL4DAANI0009
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 |
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| − | -1.7953 1.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7953 1.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5242 0.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5242 0.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8113 -0.3933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8113 -0.3933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0957 0.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0957 0.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0845 0.8344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0845 0.8344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3826 -0.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3826 -0.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3354 -0.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3354 -0.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3422 0.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3422 0.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3644 1.2371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3644 1.2371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0641 1.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0641 1.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0730 2.0437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0730 2.0437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7921 2.4492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7921 2.4492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5004 2.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5004 2.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4941 1.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4941 1.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7741 0.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7741 0.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3976 -1.2377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3976 -1.2377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8263 -1.2182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8263 -1.2182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2222 1.2758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2222 1.2758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0423 -0.4315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0423 -0.4315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2222 2.4297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2222 2.4297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7803 2.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7803 2.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4887 2.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4887 2.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4738 3.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4738 3.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7524 3.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7524 3.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1811 3.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1811 3.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2010 0.7818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2010 0.7818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1861 -0.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1861 -0.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4729 -0.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4729 -0.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7778 -0.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7778 -0.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4577 -1.2738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4577 -1.2738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7495 -1.6658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7495 -1.6658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7343 -2.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7343 -2.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 2.4409 -3.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4409 -3.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1851 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1851 -2.5375 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 |
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| − | 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 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 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 |
| − | 15 27 1 0 0 0 0 | + | 15 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 FL4DAANI0009 | + | ID FL4DAANI0009 |
| − | KNApSAcK_ID C00014384 | + | KNApSAcK_ID C00014384 |
| − | NAME Sanggenol C;3,5,7,4'-Tetrahydroxy-8-prenyl-3'-geranylflavanone | + | NAME Sanggenol C;3,5,7,4'-Tetrahydroxy-8-prenyl-3'-geranylflavanone |
| − | CAS_RN 174423-32-6 | + | CAS_RN 174423-32-6 |
| − | FORMULA C30H36O6 | + | FORMULA C30H36O6 |
| − | EXACTMASS 492.251188884 | + | EXACTMASS 492.251188884 |
| − | AVERAGEMASS 492.60324 | + | AVERAGEMASS 492.60324 |
| − | SMILES c(c32)(c(CC=C(C)C)c(O)cc3O)OC(C(C2=O)O)c(c1)cc(c(O)c1)CC=C(C)CCC=C(C)C | + | SMILES c(c32)(c(CC=C(C)C)c(O)cc3O)OC(C(C2=O)O)c(c1)cc(c(O)c1)CC=C(C)CCC=C(C)C |
M END | M END | ||
| − | |||
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
-2.5154 0.8504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7953 1.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5242 0.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8113 -0.3933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0957 0.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0845 0.8344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3826 -0.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3354 -0.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3422 0.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3644 1.2371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0641 1.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0730 2.0437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7921 2.4492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5004 2.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4941 1.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7741 0.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3976 -1.2377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8263 -1.2182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2222 1.2758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0423 -0.4315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2222 2.4297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7803 2.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4887 2.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4738 3.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7524 3.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1811 3.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2010 0.7818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1861 -0.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4729 -0.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7778 -0.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4577 -1.2738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7495 -1.6658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7343 -2.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4557 -2.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4409 -3.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1851 -2.5375 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
14 21 1 0 0 0 0
2 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
15 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 FL4DAANI0009
KNApSAcK_ID C00014384
NAME Sanggenol C;3,5,7,4'-Tetrahydroxy-8-prenyl-3'-geranylflavanone
CAS_RN 174423-32-6
FORMULA C30H36O6
EXACTMASS 492.251188884
AVERAGEMASS 492.60324
SMILES c(c32)(c(CC=C(C)C)c(O)cc3O)OC(C(C2=O)O)c(c1)cc(c(O)c1)CC=C(C)CCC=C(C)C
M END
