Mol:FL1C1ANI0015
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 30 0 0 0 0 0 0 0 0999 V2000 | + | 29 30 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.3650 0.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3650 0.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3650 -0.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3650 -0.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9213 -0.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9213 -0.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4776 -0.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4776 -0.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4776 0.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4776 0.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9213 0.9184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9213 0.9184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2318 -0.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2318 -0.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7881 -0.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7881 -0.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6757 -0.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6757 -0.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1148 -0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1148 -0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6757 -0.9864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6757 -0.9864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1148 0.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1148 0.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5621 0.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5621 0.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0095 0.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0095 0.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0095 -0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0095 -0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5621 -0.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5621 -0.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5621 -0.9691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5621 -0.9691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6171 0.9864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6171 0.9864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1696 0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1696 0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7221 0.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7221 0.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2747 0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2747 0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8272 0.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8272 0.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3797 0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3797 0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9322 0.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9322 0.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4836 0.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4836 0.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2747 0.0294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2747 0.0294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0337 0.9857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0337 0.9857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4836 0.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4836 0.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0337 0.9182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0337 0.9182 0.0000 O 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 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 9 11 2 0 0 0 0 | + | 9 11 2 0 0 0 0 |
| − | 2 8 1 0 0 0 0 | + | 2 8 1 0 0 0 0 |
| − | 10 12 2 0 0 0 0 | + | 10 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 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 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 21 26 1 0 0 0 0 | + | 21 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
| − | 5 29 1 0 0 0 0 | + | 5 29 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C1ANI0015 | + | ID FL1C1ANI0015 |
| − | KNApSAcK_ID C00007123 | + | KNApSAcK_ID C00007123 |
| − | NAME 4'-Geranyloxy-4,2'-dihydroxychalcone | + | NAME 4'-Geranyloxy-4,2'-dihydroxychalcone |
| − | CAS_RN 130289-23-5 | + | CAS_RN 130289-23-5 |
| − | FORMULA C25H28O4 | + | FORMULA C25H28O4 |
| − | EXACTMASS 392.19875938399997 | + | EXACTMASS 392.19875938399997 |
| − | AVERAGEMASS 392.48742 | + | AVERAGEMASS 392.48742 |
| − | SMILES C(=C(C)C)CCC(=CCOc(c2)cc(O)c(c2)C(=O)C=Cc(c1)ccc(O)c1)C | + | SMILES C(=C(C)C)CCC(=CCOc(c2)cc(O)c(c2)C(=O)C=Cc(c1)ccc(O)c1)C |
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 30 0 0 0 0 0 0 0 0999 V2000
3.3650 0.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3650 -0.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9213 -0.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4776 -0.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4776 0.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9213 0.9184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2318 -0.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7881 -0.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6757 -0.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1148 -0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6757 -0.9864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1148 0.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5621 0.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0095 0.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0095 -0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5621 -0.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5621 -0.9691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6171 0.9864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1696 0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7221 0.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2747 0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8272 0.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3797 0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9322 0.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4836 0.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2747 0.0294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0337 0.9857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4836 0.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0337 0.9182 0.0000 O 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
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 8 1 0 0 0 0
10 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 10 1 0 0 0 0
16 17 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
14 18 1 0 0 0 0
21 26 1 0 0 0 0
25 27 1 0 0 0 0
25 28 1 0 0 0 0
5 29 1 0 0 0 0
S SKP 8
ID FL1C1ANI0015
KNApSAcK_ID C00007123
NAME 4'-Geranyloxy-4,2'-dihydroxychalcone
CAS_RN 130289-23-5
FORMULA C25H28O4
EXACTMASS 392.19875938399997
AVERAGEMASS 392.48742
SMILES C(=C(C)C)CCC(=CCOc(c2)cc(O)c(c2)C(=O)C=Cc(c1)ccc(O)c1)C
M END
