Mol:FL1CBANI0003
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 32 0 0 0 0 0 0 0 0999 V2000 | + | 31 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7862 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7862 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0717 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3572 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3572 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0717 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3572 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0717 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3572 2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7862 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7862 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5006 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5006 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5006 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5006 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2151 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2151 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9296 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9296 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9296 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9296 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2151 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2151 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6441 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6441 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0717 2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7862 2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3572 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5006 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5006 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5006 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5006 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2151 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2151 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9296 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9296 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9296 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9296 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6441 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6441 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0717 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7862 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7862 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5006 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5006 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0717 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 -2.6812 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 |
| − | 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 |
| − | 7 9 2 0 0 0 0 | + | 7 9 2 0 0 0 0 |
| − | 8 10 2 0 0 0 0 | + | 8 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 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 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 4 20 1 0 0 0 0 | + | 4 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 1 22 1 0 0 0 0 | + | 1 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 |
| − | 3 27 1 0 0 0 0 | + | 3 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 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CBANI0003 | + | ID FL1CBANI0003 |
| − | KNApSAcK_ID C00014473 | + | KNApSAcK_ID C00014473 |
| − | NAME 5'-Prenylxanthohumol;3',5'-Diprenyl-4,2',4'-trihydroxy-6-methoxychalcone | + | NAME 5'-Prenylxanthohumol;3',5'-Diprenyl-4,2',4'-trihydroxy-6-methoxychalcone |
| − | CAS_RN 189299-04-5 | + | CAS_RN 189299-04-5 |
| − | FORMULA C26H30O5 | + | FORMULA C26H30O5 |
| − | EXACTMASS 422.20932407 | + | EXACTMASS 422.20932407 |
| − | AVERAGEMASS 422.5134 | + | AVERAGEMASS 422.5134 |
| − | SMILES Oc(c1)ccc(C=CC(c(c2O)c(OC)c(CC=C(C)C)c(c2CC=C(C)C)O)=O)c1 | + | SMILES Oc(c1)ccc(C=CC(c(c2O)c(OC)c(CC=C(C)C)c(c2CC=C(C)C)O)=O)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 32 0 0 0 0 0 0 0 0999 V2000
-1.7862 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9296 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9296 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6441 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9296 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9296 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6441 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 -2.6812 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
5 7 1 0 0 0 0
7 8 1 0 0 0 0
7 9 2 0 0 0 0
8 10 2 0 0 0 0
10 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
14 17 1 0 0 0 0
6 18 1 0 0 0 0
18 19 1 0 0 0 0
4 20 1 0 0 0 0
2 21 1 0 0 0 0
1 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
3 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
S SKP 8
ID FL1CBANI0003
KNApSAcK_ID C00014473
NAME 5'-Prenylxanthohumol;3',5'-Diprenyl-4,2',4'-trihydroxy-6-methoxychalcone
CAS_RN 189299-04-5
FORMULA C26H30O5
EXACTMASS 422.20932407
AVERAGEMASS 422.5134
SMILES Oc(c1)ccc(C=CC(c(c2O)c(OC)c(CC=C(C)C)c(c2CC=C(C)C)O)=O)c1
M END
