Mol:FL1C1ANP0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
1.5537 0.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5537 -0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1100 -0.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6663 -0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6663 0.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1100 0.7582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2967 -0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8530 -0.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2594 -0.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8203 -0.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2594 -1.1672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8203 0.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3730 0.7644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9256 0.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9256 -0.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3730 -0.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2224 0.7581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4781 -0.5118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0295 -0.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3730 -1.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4781 0.7614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0295 0.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5796 0.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2235 1.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5323 -0.7053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3984 -1.2052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 8 1 0 0 0 0
10 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 10 1 0 0 0 0
5 17 1 0 0 0 0
15 18 1 0 0 0 0
18 19 2 0 0 0 0
16 20 1 0 0 0 0
14 21 1 0 0 0 0
21 22 1 0 0 0 0
22 19 1 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
4 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 27
M SMT 1 OCH3
M SVB 1 27 2.8651 -0.4116
S SKP 8
ID FL1C1ANP0008
KNApSAcK_ID C00007094
NAME Pongachalcone II
CAS_RN 64173-09-7
FORMULA C21H20O5
EXACTMASS 352.13107375
AVERAGEMASS 352.3805
SMILES c(c1C=CC(c(c3O)ccc(c32)OC(C=C2)(C)C)=O)c(c(O)cc1)OC
M END
