Mol:FL1CHYNM0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 25 0 0 0 0 0 0 0 0999 V2000 | + | 24 25 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 |
| − | -1.3954 -0.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3954 -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 |
| − | -1.3954 0.4243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3954 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 |
| − | -1.3954 -1.5026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3954 -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 |
| − | -1.3954 1.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3954 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 |
| − | -2.3089 0.7218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3089 0.7218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8089 1.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8089 1.5878 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 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 9 18 1 0 0 0 0 | + | 9 18 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 19 22 2 0 0 0 0 | + | 19 22 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 1 23 1 0 0 0 0 | + | 1 23 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 23 24 | + | M SAL 1 2 23 24 |
| − | M SBL 1 1 25 | + | M SBL 1 1 25 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 25 -2.3089 0.7218 | + | M SVB 1 25 -2.3089 0.7218 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CHYNM0001 | + | ID FL1CHYNM0001 |
| − | KNApSAcK_ID C00006999 | + | KNApSAcK_ID C00006999 |
| − | NAME 3'-Formyl-2',6',beta-trihydroxy-4'-methoxy-5'-methylchalcone | + | NAME 3'-Formyl-2',6',beta-trihydroxy-4'-methoxy-5'-methylchalcone |
| − | CAS_RN 59677-77-9 | + | CAS_RN 59677-77-9 |
| − | FORMULA C18H16O6 | + | FORMULA C18H16O6 |
| − | EXACTMASS 328.094688244 | + | EXACTMASS 328.094688244 |
| − | AVERAGEMASS 328.31604 | + | AVERAGEMASS 328.31604 |
| − | SMILES C(c(c2O)c(c(c(c2C)OC)C=O)O)(=O)C=C(O)c(c1)cccc1 | + | SMILES C(c(c2O)c(c(c(c2C)OC)C=O)O)(=O)C=C(O)c(c1)cccc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 25 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
-1.3954 -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
-1.3954 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
-1.3954 -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
-1.3954 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
-2.3089 0.7218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8089 1.5878 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
3 17 1 0 0 0 0
9 18 1 0 0 0 0
6 19 1 0 0 0 0
5 20 1 0 0 0 0
2 21 1 0 0 0 0
19 22 2 0 0 0 0
23 24 1 0 0 0 0
1 23 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 23 24
M SBL 1 1 25
M SMT 1 OCH3
M SVB 1 25 -2.3089 0.7218
S SKP 8
ID FL1CHYNM0001
KNApSAcK_ID C00006999
NAME 3'-Formyl-2',6',beta-trihydroxy-4'-methoxy-5'-methylchalcone
CAS_RN 59677-77-9
FORMULA C18H16O6
EXACTMASS 328.094688244
AVERAGEMASS 328.31604
SMILES C(c(c2O)c(c(c(c2C)OC)C=O)O)(=O)C=C(O)c(c1)cccc1
M END
