Mol:FL1CA9NI0008
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 |
| − | -0.3572 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3572 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0717 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 0.6188 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 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7862 -0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7862 -0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5006 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5006 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2151 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2151 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9296 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9296 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6441 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6441 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3585 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3585 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3585 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3585 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6441 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6441 1.8563 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 |
| − | 0.3572 -0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 -0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7862 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7862 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0717 1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 1.8562 0.0000 O 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 |
| − | -1.7862 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2151 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2151 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5006 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5006 -0.6188 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 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9296 -0.6188 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 |
| − | -4.6441 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6441 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3585 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3585 -0.6188 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 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 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 2 0 0 0 0 | + | 9 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 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 5 18 1 0 0 0 0 | + | 5 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 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 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 FL1CA9NI0008 | + | ID FL1CA9NI0008 |
| − | KNApSAcK_ID C00014441 | + | KNApSAcK_ID C00014441 |
| − | NAME 3'-Neryl-2',4',6'-trihydroxychalcone | + | NAME 3'-Neryl-2',4',6'-trihydroxychalcone |
| − | CAS_RN 140158-52-7 | + | CAS_RN 140158-52-7 |
| − | 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
-0.3572 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 0.6188 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 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 -0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9296 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6441 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3585 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3585 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6441 1.8563 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
0.3572 -0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 1.8562 0.0000 O 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
-1.7862 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 -0.6188 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 -0.6188 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 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3585 -0.6188 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
4 7 1 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 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
3 17 1 0 0 0 0
5 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
24 25 1 0 0 0 0
25 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 FL1CA9NI0008
KNApSAcK_ID C00014441
NAME 3'-Neryl-2',4',6'-trihydroxychalcone
CAS_RN 140158-52-7
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
