Mol:FL1C19NI0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 29 0 0 0 0 0 0 0 0999 V2000 | + | 28 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0457 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0457 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0457 -0.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0457 -0.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4894 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4894 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0669 -0.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0669 -0.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0669 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0669 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4894 0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4894 0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6232 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6232 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1795 -0.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1795 -0.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7356 -1.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7356 -1.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2917 -0.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2917 -0.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8527 -1.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8527 -1.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4137 -0.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4137 -0.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4137 -0.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4137 -0.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8527 0.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8527 0.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2917 -0.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2917 -0.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6232 -1.7857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6232 -1.7857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4894 -1.9267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4894 -1.9267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3027 -0.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3027 -0.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7464 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7464 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8588 -1.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8588 -1.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4137 -0.9639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4137 -0.9639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8588 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8588 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6018 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6018 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4894 0.6425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4894 0.6425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0455 0.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0455 0.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0455 1.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0455 1.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6016 1.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6016 1.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4894 1.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4894 1.9267 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 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 17 3 1 0 0 0 0 | + | 17 3 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 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 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 1 23 1 0 0 0 0 | + | 1 23 1 0 0 0 0 |
| − | 6 24 1 0 0 0 0 | + | 6 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C19NI0004 | + | ID FL1C19NI0004 |
| − | KNApSAcK_ID C00007054 | + | KNApSAcK_ID C00007054 |
| − | NAME Spinochalcone A | + | NAME Spinochalcone A |
| − | CAS_RN 52601-08-8 | + | CAS_RN 52601-08-8 |
| − | FORMULA C25H28O3 | + | FORMULA C25H28O3 |
| − | EXACTMASS 376.203844762 | + | EXACTMASS 376.203844762 |
| − | AVERAGEMASS 376.48802 | + | AVERAGEMASS 376.48802 |
| − | SMILES C(C)(C)=CCc(c1O)c(c(CC=C(C)C)cc1C(C=Cc(c2)cccc2)=O)O | + | SMILES C(C)(C)=CCc(c1O)c(c(CC=C(C)C)cc1C(C=Cc(c2)cccc2)=O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 29 0 0 0 0 0 0 0 0999 V2000
-1.0457 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0457 -0.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4894 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0669 -0.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0669 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4894 0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6232 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1795 -0.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7356 -1.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2917 -0.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8527 -1.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4137 -0.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4137 -0.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8527 0.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2917 -0.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6232 -1.7857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4894 -1.9267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3027 -0.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7464 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8588 -1.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4137 -0.9639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8588 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6018 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4894 0.6425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0455 0.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0455 1.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6016 1.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4894 1.9267 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 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 10 1 0 0 0 0
7 16 2 0 0 0 0
17 3 1 0 0 0 0
18 19 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
2 19 1 0 0 0 0
1 23 1 0 0 0 0
6 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
S SKP 8
ID FL1C19NI0004
KNApSAcK_ID C00007054
NAME Spinochalcone A
CAS_RN 52601-08-8
FORMULA C25H28O3
EXACTMASS 376.203844762
AVERAGEMASS 376.48802
SMILES C(C)(C)=CCc(c1O)c(c(CC=C(C)C)cc1C(C=Cc(c2)cccc2)=O)O
M END
