Mol:FL2FA9NI0014
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 31 0 0 0 0 0 0 0 0999 V2000 | + | 29 31 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.8466 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8466 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8466 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8466 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2903 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2903 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2660 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2660 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2660 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2660 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2903 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2903 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8223 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8223 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3786 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3786 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3786 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3786 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8223 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8223 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9347 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9347 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5017 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5017 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0686 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0686 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0686 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0686 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5017 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5017 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9347 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9347 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8223 -1.8283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8223 -1.8283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2903 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2903 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4027 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4027 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4027 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4027 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9588 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9588 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5137 -1.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5137 -1.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0686 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0686 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5137 -1.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5137 -1.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2903 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2903 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8464 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8464 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8464 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8464 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4025 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4025 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2903 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2903 1.9266 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 0 0 0 0 | + | 9 11 1 0 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 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 3 25 1 0 0 0 0 | + | 3 25 1 0 0 0 0 |
| − | 18 26 1 0 0 0 0 | + | 18 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FA9NI0014 | + | ID FL2FA9NI0014 |
| − | KNApSAcK_ID C00008188 | + | KNApSAcK_ID C00008188 |
| − | NAME 5,7-Dihydroxy-6,8-di-C-prenylflavanone | + | NAME 5,7-Dihydroxy-6,8-di-C-prenylflavanone |
| − | CAS_RN 96386-71-9 | + | CAS_RN 96386-71-9 |
| − | FORMULA C25H28O4 | + | FORMULA C25H28O4 |
| − | EXACTMASS 392.19875938399997 | + | EXACTMASS 392.19875938399997 |
| − | AVERAGEMASS 392.48742 | + | AVERAGEMASS 392.48742 |
| − | SMILES c(c(CC=C(C)C)1)(O2)c(C(CC(c(c3)cccc3)2)=O)c(O)c(CC=C(C)C)c1O | + | SMILES c(c(CC=C(C)C)1)(O2)c(C(CC(c(c3)cccc3)2)=O)c(O)c(CC=C(C)C)c1O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 31 0 0 0 0 0 0 0 0999 V2000
-0.8466 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8466 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2903 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2660 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2660 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2903 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8223 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3786 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3786 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8223 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9347 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5017 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0686 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0686 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5017 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9347 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8223 -1.8283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2903 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4027 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4027 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9588 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5137 -1.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0686 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5137 -1.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2903 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8464 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8464 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4025 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2903 1.9266 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 0 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
6 18 1 0 0 0 0
1 19 1 0 0 0 0
2 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
3 25 1 0 0 0 0
18 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
S SKP 8
ID FL2FA9NI0014
KNApSAcK_ID C00008188
NAME 5,7-Dihydroxy-6,8-di-C-prenylflavanone
CAS_RN 96386-71-9
FORMULA C25H28O4
EXACTMASS 392.19875938399997
AVERAGEMASS 392.48742
SMILES c(c(CC=C(C)C)1)(O2)c(C(CC(c(c3)cccc3)2)=O)c(O)c(CC=C(C)C)c1O
M END
