Mol:FL1DBCNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-2.3977 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3977 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8437 -0.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2897 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2897 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8437 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7360 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1835 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3679 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9180 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4564 -0.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9948 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9948 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4564 0.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9180 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7360 -0.9579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8437 -0.9594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9514 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5860 -0.1936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9514 0.3093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5860 0.8122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7360 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0215 0.5467 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
12 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 13 1 0 0 0 0
5 22 1 0 0 0 0
22 23 1 0 0 0 0
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 SBV 1 24 -6.1505 3.7436
S SKP 8
ID FL1DBCNS0001
KNApSAcK_ID C00007955
NAME 2',4'-Dihydroxy-6'-methoxy-3,4-methylenedioxydihydrochalcone
CAS_RN 121781-36-0
FORMULA C17H16O6
EXACTMASS 316.094688244
AVERAGEMASS 316.30534
SMILES COc(c1)c(C(=O)CCc(c2)cc(O3)c(OC3)c2)c(O)cc(O)1
M END
