Mol:FL1DECNF0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 30 0 0 0 0 0 0 0 0999 V2000 | + | 27 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1824 0.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1824 0.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1824 -0.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1824 -0.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6284 -0.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6284 -0.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0743 -0.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0743 -0.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0743 0.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0743 0.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6284 0.6732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6284 0.6732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5206 -0.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5206 -0.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0319 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0319 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5832 -0.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5832 -0.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1334 -0.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1334 -0.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6717 -0.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6717 -0.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2101 -0.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2101 -0.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2101 0.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2101 0.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6717 0.6448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6717 0.6448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1334 0.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1334 0.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5206 -1.2440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5206 -1.2440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6284 -1.2456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6284 -1.2456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7908 0.5510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7908 0.5510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1668 0.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1668 0.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7908 -0.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7908 -0.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8014 -0.4798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8014 -0.4798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1668 0.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1668 0.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8014 0.5261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8014 0.5261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3515 1.2456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3515 1.2456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9160 2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9160 2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2083 0.8534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2083 0.8534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6578 1.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6578 1.3533 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 |
| − | 3 17 1 0 0 0 0 | + | 3 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 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 2 1 0 0 0 0 | + | 20 2 1 0 0 0 0 |
| − | 12 21 1 0 0 0 0 | + | 12 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 13 1 0 0 0 0 | + | 23 13 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 |
| − | 5 26 1 0 0 0 0 | + | 5 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 26 27 | + | M SAL 2 2 26 27 |
| − | M SBL 2 1 29 | + | M SBL 2 1 29 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 29 -0.5206 0.6731 | + | M SVB 2 29 -0.5206 0.6731 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 24 25 | + | M SAL 1 2 24 25 |
| − | M SBL 1 1 27 | + | M SBL 1 1 27 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 27 -1.3515 1.2456 | + | M SVB 1 27 -1.3515 1.2456 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DECNF0001 | + | ID FL1DECNF0001 |
| − | KNApSAcK_ID C00007962 | + | KNApSAcK_ID C00007962 |
| − | NAME 2'-Hydroxy-5',6'-dimethoxy-3,4-methylenedioxyfurano[2'',3'':4',3'] dihydrochalcon | + | NAME 2'-Hydroxy-5',6'-dimethoxy-3,4-methylenedioxyfurano[2'',3'':4',3'] dihydrochalcon |
| − | CAS_RN 77985-80-9 | + | CAS_RN 77985-80-9 |
| − | FORMULA C20H18O7 | + | FORMULA C20H18O7 |
| − | EXACTMASS 370.10525293 | + | EXACTMASS 370.10525293 |
| − | AVERAGEMASS 370.35272 | + | AVERAGEMASS 370.35272 |
| − | SMILES c(c34)cc(cc3OCO4)CCC(=O)c(c1O)c(c(c(o2)c(cc2)1)OC)OC | + | SMILES c(c34)cc(cc3OCO4)CCC(=O)c(c1O)c(c(c(o2)c(cc2)1)OC)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 30 0 0 0 0 0 0 0 0999 V2000
-2.1824 0.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1824 -0.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6284 -0.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0743 -0.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0743 0.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6284 0.6732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5206 -0.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0319 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5832 -0.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1334 -0.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6717 -0.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2101 -0.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2101 0.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6717 0.6448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1334 0.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5206 -1.2440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6284 -1.2456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7908 0.5510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1668 0.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7908 -0.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8014 -0.4798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1668 0.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8014 0.5261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3515 1.2456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9160 2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2083 0.8534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6578 1.3533 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
3 17 1 0 0 0 0
1 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 2 1 0 0 0 0
12 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 13 1 0 0 0 0
6 24 1 0 0 0 0
24 25 1 0 0 0 0
5 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 26 27
M SBL 2 1 29
M SMT 2 OCH3
M SVB 2 29 -0.5206 0.6731
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 27
M SMT 1 OCH3
M SVB 1 27 -1.3515 1.2456
S SKP 8
ID FL1DECNF0001
KNApSAcK_ID C00007962
NAME 2'-Hydroxy-5',6'-dimethoxy-3,4-methylenedioxyfurano[2'',3'':4',3'] dihydrochalcon
CAS_RN 77985-80-9
FORMULA C20H18O7
EXACTMASS 370.10525293
AVERAGEMASS 370.35272
SMILES c(c34)cc(cc3OCO4)CCC(=O)c(c1O)c(c(c(o2)c(cc2)1)OC)OC
M END
