Mol:FL1DHYNS0004
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 26 0 0 0 0 0 0 0 0999 V2000 | + | 24 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7040 0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7040 0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7040 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7040 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1500 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1500 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5960 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5960 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5960 0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5960 0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1500 0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1500 0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0423 -0.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0423 -0.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5102 -0.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5102 -0.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0615 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0615 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6117 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6117 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1501 -0.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1501 -0.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6884 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6884 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6884 0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6884 0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1501 0.9302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1501 0.9302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6117 0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6117 0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0423 -0.9586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0423 -0.9586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0615 -0.9566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0615 -0.9566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3124 0.8365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3124 0.8365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6884 0.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6884 0.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3124 -0.1986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3124 -0.1986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0423 0.9585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0423 0.9585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6722 0.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6722 0.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5876 -0.4806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5876 -0.4806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8732 -0.8931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8732 -0.8931 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 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 |
| − | 9 17 1 0 0 0 0 | + | 9 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 2 1 0 0 0 0 | + | 20 2 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 3 23 1 0 0 0 0 | + | 3 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 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 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 23 | + | M SBL 1 1 23 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 23 -5.4568 3.7428 | + | M SBV 1 23 -5.4568 3.7428 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 23 24 | + | M SAL 2 2 23 24 |
| − | M SBL 2 1 25 | + | M SBL 2 1 25 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 25 -6.4481 3.2633 | + | M SBV 2 25 -6.4481 3.2633 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DHYNS0004 | + | ID FL1DHYNS0004 |
| − | KNApSAcK_ID C00007959 | + | KNApSAcK_ID C00007959 |
| − | NAME beta-Hydroxy-2',6'-dimethoxy-3',4'-methylenedioxydihydrochalcone | + | NAME beta-Hydroxy-2',6'-dimethoxy-3',4'-methylenedioxydihydrochalcone |
| − | CAS_RN 70185-51-2 | + | CAS_RN 70185-51-2 |
| − | FORMULA C18H18O6 | + | FORMULA C18H18O6 |
| − | EXACTMASS 330.110338308 | + | EXACTMASS 330.110338308 |
| − | AVERAGEMASS 330.33191999999997 | + | AVERAGEMASS 330.33191999999997 |
| − | SMILES C(c(c(OC)3)c(c(c2c3)OCO2)OC)(=O)CC(O)c(c1)cccc1 | + | SMILES C(c(c(OC)3)c(c(c2c3)OCO2)OC)(=O)CC(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 26 0 0 0 0 0 0 0 0999 V2000
-1.7040 0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7040 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1500 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5960 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5960 0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1500 0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0423 -0.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5102 -0.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0615 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6117 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1501 -0.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6884 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6884 0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1501 0.9302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6117 0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0423 -0.9586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0615 -0.9566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3124 0.8365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6884 0.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3124 -0.1986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0423 0.9585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6722 0.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5876 -0.4806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8732 -0.8931 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 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
9 17 1 0 0 0 0
1 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 2 1 0 0 0 0
5 21 1 0 0 0 0
21 22 1 0 0 0 0
3 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SBV 1 23 -5.4568 3.7428
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 25
M SMT 2 OCH3
M SBV 2 25 -6.4481 3.2633
S SKP 8
ID FL1DHYNS0004
KNApSAcK_ID C00007959
NAME beta-Hydroxy-2',6'-dimethoxy-3',4'-methylenedioxydihydrochalcone
CAS_RN 70185-51-2
FORMULA C18H18O6
EXACTMASS 330.110338308
AVERAGEMASS 330.33191999999997
SMILES C(c(c(OC)3)c(c(c2c3)OCO2)OC)(=O)CC(O)c(c1)cccc1
M END
