Mol:FL1CHYNM0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 24 0 0 0 0 0 0 0 0999 V2000 | + | 23 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9517 0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9517 0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9517 -0.5393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9517 -0.5393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3953 -0.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3953 -0.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8390 -0.5393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8390 -0.5393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8390 0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8390 0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3953 0.4243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3953 0.4243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2827 -0.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2827 -0.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2736 -0.5393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2736 -0.5393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8297 -0.8604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8297 -0.8604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3857 -0.5393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3857 -0.5393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9467 -0.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9467 -0.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5077 -0.5393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5077 -0.5393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5077 0.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5077 0.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9467 0.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9467 0.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3857 0.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3857 0.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2827 -1.3618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2827 -1.3618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3953 -1.5026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3953 -1.5026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8297 -1.5011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8297 -1.5011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5077 0.4241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5077 0.4241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3953 1.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3953 1.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2830 0.4241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2830 0.4241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5077 -0.8604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5077 -0.8604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8316 1.5026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8316 1.5026 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 |
| − | 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 1 0 0 0 0 | + | 8 9 1 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 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 9 18 2 0 0 0 0 | + | 9 18 2 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
| − | 20 23 2 0 0 0 0 | + | 20 23 2 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CHYNM0002 | + | ID FL1CHYNM0002 |
| − | KNApSAcK_ID C00007000 | + | KNApSAcK_ID C00007000 |
| − | NAME 3'-Formyl-2',4',6',beta-tetrahydroxy-5'-methylchalcone | + | NAME 3'-Formyl-2',4',6',beta-tetrahydroxy-5'-methylchalcone |
| − | CAS_RN 59677-76-8 | + | CAS_RN 59677-76-8 |
| − | FORMULA C17H14O6 | + | FORMULA C17H14O6 |
| − | EXACTMASS 314.07903818 | + | EXACTMASS 314.07903818 |
| − | AVERAGEMASS 314.28945999999996 | + | AVERAGEMASS 314.28945999999996 |
| − | SMILES O=Cc(c(O)1)c(O)c(C(=O)CC(=O)c(c2)cccc2)c(O)c(C)1 | + | SMILES O=Cc(c(O)1)c(O)c(C(=O)CC(=O)c(c2)cccc2)c(O)c(C)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 24 0 0 0 0 0 0 0 0999 V2000
-1.9517 0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9517 -0.5393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3953 -0.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8390 -0.5393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8390 0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3953 0.4243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2827 -0.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2736 -0.5393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8297 -0.8604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3857 -0.5393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9467 -0.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5077 -0.5393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5077 0.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9467 0.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3857 0.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2827 -1.3618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3953 -1.5026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8297 -1.5011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5077 0.4241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3953 1.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2830 0.4241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5077 -0.8604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8316 1.5026 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
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 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
3 17 1 0 0 0 0
9 18 2 0 0 0 0
1 19 1 0 0 0 0
6 20 1 0 0 0 0
5 21 1 0 0 0 0
2 22 1 0 0 0 0
20 23 2 0 0 0 0
S SKP 8
ID FL1CHYNM0002
KNApSAcK_ID C00007000
NAME 3'-Formyl-2',4',6',beta-tetrahydroxy-5'-methylchalcone
CAS_RN 59677-76-8
FORMULA C17H14O6
EXACTMASS 314.07903818
AVERAGEMASS 314.28945999999996
SMILES O=Cc(c(O)1)c(O)c(C(=O)CC(=O)c(c2)cccc2)c(O)c(C)1
M END
