Mol:FL1DGANS0001
From Metabolomics.JP
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
