Mol:FL1DGANS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.3304 0.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3304 0.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3304 -0.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3304 -0.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7764 -0.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7764 -0.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2224 -0.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2224 -0.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2224 0.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2224 0.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7764 0.6732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7764 0.6732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6687 -0.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6687 -0.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1161 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1161 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4352 -0.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4352 -0.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9853 -0.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9853 -0.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5237 -0.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5237 -0.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0621 -0.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0621 -0.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0621 0.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0621 0.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5237 0.6448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5237 0.6448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9853 0.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9853 0.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6687 -1.2440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6687 -1.2440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7764 -1.2456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7764 -1.2456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3564 0.8534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3564 0.8534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9388 0.5510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9388 0.5510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3148 0.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3148 0.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9388 -0.4840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9388 -0.4840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6003 0.6447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6003 0.6447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3148 0.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3148 0.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4995 1.2456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4995 1.2456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0640 2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0640 2.1458 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 |
| − | 5 18 1 0 0 0 0 | + | 5 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 2 1 0 0 0 0 | + | 21 2 1 0 0 0 0 |
| − | 13 22 1 0 0 0 0 | + | 13 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 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 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 24 25 | + | M SAL 2 2 24 25 |
| − | M SBL 2 1 26 | + | M SBL 2 1 26 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 26 -1.4995 1.2456 | + | M SVB 2 26 -1.4995 1.2456 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 22 23 | + | M SAL 1 2 22 23 |
| − | M SBL 1 1 24 | + | M SBL 1 1 24 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 24 2.6003 0.6447 | + | M SVB 1 24 2.6003 0.6447 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DGANS0001 | + | ID FL1DGANS0001 |
| − | KNApSAcK_ID C00007956 | + | KNApSAcK_ID C00007956 |
| − | NAME 2',6'-Dihydroxy-4,3'-dimethoxy-4',5'-methylenedioxydihydrochalcone | + | NAME 2',6'-Dihydroxy-4,3'-dimethoxy-4',5'-methylenedioxydihydrochalcone |
| − | CAS_RN 97868-10-5 | + | CAS_RN 97868-10-5 |
| − | FORMULA C18H18O7 | + | FORMULA C18H18O7 |
| − | EXACTMASS 346.10525293 | + | EXACTMASS 346.10525293 |
| − | AVERAGEMASS 346.33132 | + | AVERAGEMASS 346.33132 |
| − | SMILES C(c(c3O)c(c(c(c3OC)2)OCO2)O)(=O)CCc(c1)ccc(OC)c1 | + | SMILES C(c(c3O)c(c(c(c3OC)2)OCO2)O)(=O)CCc(c1)ccc(OC)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-2.3304 0.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3304 -0.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7764 -0.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2224 -0.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2224 0.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7764 0.6732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6687 -0.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1161 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4352 -0.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9853 -0.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5237 -0.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0621 -0.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0621 0.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5237 0.6448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9853 0.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6687 -1.2440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7764 -1.2456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3564 0.8534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9388 0.5510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3148 0.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9388 -0.4840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6003 0.6447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3148 0.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4995 1.2456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0640 2.1458 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
5 18 1 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 2 1 0 0 0 0
13 22 1 0 0 0 0
22 23 1 0 0 0 0
6 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 24 25
M SBL 2 1 26
M SMT 2 OCH3
M SVB 2 26 -1.4995 1.2456
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 24
M SMT 1 OCH3
M SVB 1 24 2.6003 0.6447
S SKP 8
ID FL1DGANS0001
KNApSAcK_ID C00007956
NAME 2',6'-Dihydroxy-4,3'-dimethoxy-4',5'-methylenedioxydihydrochalcone
CAS_RN 97868-10-5
FORMULA C18H18O7
EXACTMASS 346.10525293
AVERAGEMASS 346.33132
SMILES C(c(c3O)c(c(c(c3OC)2)OCO2)O)(=O)CCc(c1)ccc(OC)c1
M END
