Mol:FL1CA9NI0007
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 |
| − | 3.3239 0.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3239 0.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3239 -0.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3239 -0.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8802 -0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8802 -0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4365 -0.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4365 -0.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4365 0.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4365 0.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8802 0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8802 0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1907 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1907 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7470 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7470 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6346 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6346 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0737 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0737 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6346 -0.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6346 -0.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0737 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0737 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5210 0.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5210 0.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0316 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0316 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0316 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0316 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5210 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5210 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5210 -0.9485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5210 -0.9485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1369 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1369 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5842 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5842 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6894 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6894 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6894 -0.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6894 -0.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2407 0.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2407 0.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7909 -0.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7909 -0.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3398 0.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3398 0.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8888 -0.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8888 -0.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8888 -0.9422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8888 -0.9422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4365 0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4365 0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5841 0.9657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5841 0.9657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6262 0.9657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6262 0.9657 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 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 18 20 2 0 0 0 0 | + | 18 20 2 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 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 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 14 28 1 0 0 0 0 | + | 14 28 1 0 0 0 0 |
| − | 12 29 1 0 0 0 0 | + | 12 29 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CA9NI0007 | + | ID FL1CA9NI0007 |
| − | KNApSAcK_ID C00007128 | + | KNApSAcK_ID C00007128 |
| − | NAME 3'-Geranyl-2',4',6'-trihydroxychalcone | + | NAME 3'-Geranyl-2',4',6'-trihydroxychalcone |
| − | CAS_RN 73436-02-9 | + | CAS_RN 73436-02-9 |
| − | FORMULA C25H28O4 | + | FORMULA C25H28O4 |
| − | EXACTMASS 392.19875938399997 | + | EXACTMASS 392.19875938399997 |
| − | AVERAGEMASS 392.48742 | + | AVERAGEMASS 392.48742 |
| − | SMILES Oc(c1)c(C(C=Cc(c2)cccc2)=O)c(O)c(CC=C(C)CCC=C(C)C)c(O)1 | + | SMILES Oc(c1)c(C(C=Cc(c2)cccc2)=O)c(O)c(CC=C(C)CCC=C(C)C)c(O)1 |
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
3.3239 0.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3239 -0.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8802 -0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4365 -0.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4365 0.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8802 0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1907 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7470 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6346 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0737 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6346 -0.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0737 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5210 0.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0316 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0316 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5210 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5210 -0.9485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1369 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5842 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6894 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6894 -0.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2407 0.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7909 -0.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3398 0.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8888 -0.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8888 -0.9422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4365 0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5841 0.9657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6262 0.9657 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 15 1 0 0 0 0
18 20 2 0 0 0 0
20 21 1 0 0 0 0
20 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
25 26 1 0 0 0 0
25 27 1 0 0 0 0
14 28 1 0 0 0 0
12 29 1 0 0 0 0
S SKP 8
ID FL1CA9NI0007
KNApSAcK_ID C00007128
NAME 3'-Geranyl-2',4',6'-trihydroxychalcone
CAS_RN 73436-02-9
FORMULA C25H28O4
EXACTMASS 392.19875938399997
AVERAGEMASS 392.48742
SMILES Oc(c1)c(C(C=Cc(c2)cccc2)=O)c(O)c(CC=C(C)CCC=C(C)C)c(O)1
M END
