Mol:FL1DA9NM0007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 21 22 0 0 0 0 0 0 0 0999 V2000 | + | 21 22 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.3913 -0.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3913 -0.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0579 -0.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0579 -0.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0579 0.5649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0579 0.5649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3913 0.9498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3913 0.9498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7247 0.5649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7247 0.5649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7247 -0.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7247 -0.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0166 -0.6136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0166 -0.6136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2672 -0.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2672 -0.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4568 -0.5990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4568 -0.5990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1438 -0.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1438 -0.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1438 0.5819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1438 0.5819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8230 0.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8230 0.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5022 0.5819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5022 0.5819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5022 -0.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5022 -0.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8230 -0.5945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8230 -0.5945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4568 -1.2007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4568 -1.2007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5452 0.9275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5452 0.9275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0579 -0.5232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0579 -0.5232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8230 -1.1836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8230 -1.1836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8594 1.2007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8594 1.2007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1449 0.7882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1449 0.7882 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 |
| − | 6 7 1 0 0 0 0 | + | 6 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 |
| − | 9 16 2 0 0 0 0 | + | 9 16 2 0 0 0 0 |
| − | 11 17 1 0 0 0 0 | + | 11 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 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 20 21 | + | M SAL 1 2 20 21 |
| − | M SBL 1 1 21 | + | M SBL 1 1 21 |
| − | M SMT 1 ^OCH3 | + | M SMT 1 ^OCH3 |
| − | M SBV 1 21 -8.7982 5.6557 | + | M SBV 1 21 -8.7982 5.6557 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DA9NM0007 | + | ID FL1DA9NM0007 |
| − | KNApSAcK_ID C00008118 | + | KNApSAcK_ID C00008118 |
| − | NAME 2',6'-Dihydroxy-4'-methoxy-3'-methyldihydrochalcone | + | NAME 2',6'-Dihydroxy-4'-methoxy-3'-methyldihydrochalcone |
| − | CAS_RN 83247-38-5 | + | CAS_RN 83247-38-5 |
| − | FORMULA C17H18O4 | + | FORMULA C17H18O4 |
| − | EXACTMASS 286.120509064 | + | EXACTMASS 286.120509064 |
| − | AVERAGEMASS 286.32241999999997 | + | AVERAGEMASS 286.32241999999997 |
| − | SMILES COc(c1)c(C)c(O)c(C(=O)CCc(c2)cccc2)c(O)1 | + | SMILES COc(c1)c(C)c(O)c(C(=O)CCc(c2)cccc2)c(O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 22 0 0 0 0 0 0 0 0999 V2000
2.3913 -0.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0579 -0.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0579 0.5649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3913 0.9498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7247 0.5649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7247 -0.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0166 -0.6136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2672 -0.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4568 -0.5990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1438 -0.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1438 0.5819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8230 0.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5022 0.5819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5022 -0.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8230 -0.5945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4568 -1.2007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5452 0.9275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0579 -0.5232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8230 -1.1836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8594 1.2007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1449 0.7882 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
6 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
9 16 2 0 0 0 0
11 17 1 0 0 0 0
14 18 1 0 0 0 0
15 19 1 0 0 0 0
13 20 1 0 0 0 0
20 21 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 21
M SMT 1 ^OCH3
M SBV 1 21 -8.7982 5.6557
S SKP 8
ID FL1DA9NM0007
KNApSAcK_ID C00008118
NAME 2',6'-Dihydroxy-4'-methoxy-3'-methyldihydrochalcone
CAS_RN 83247-38-5
FORMULA C17H18O4
EXACTMASS 286.120509064
AVERAGEMASS 286.32241999999997
SMILES COc(c1)c(C)c(O)c(C(=O)CCc(c2)cccc2)c(O)1
M END
