Mol:FL2FG9NS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 0 0 0 0 0 0999 V2000
-1.4791 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9582 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4373 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4373 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9582 0.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4791 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0836 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6045 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6045 0.1195 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0836 0.4202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1248 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0836 -1.3066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6592 0.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1935 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1935 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6592 1.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1248 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9582 1.0211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1935 -0.3699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1814 -0.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8363 0.7382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3363 1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9582 -1.7827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9582 -2.7827 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
3 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 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 11 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
6 21 1 0 0 0 0
21 22 1 0 0 0 0
2 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 23 24
M SBL 3 1 25
M SMT 3 OCH3
M SVB 3 25 -1.4125 -0.9329
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 23
M SMT 2 OCH3
M SVB 2 23 -1.8363 0.7382
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 -2.1935 -0.3699
S SKP 8
ID FL2FG9NS0005
KNApSAcK_ID C00008486
NAME Kwangsienin A
CAS_RN 158848-28-3
FORMULA C18H18O6
EXACTMASS 330.110338308
AVERAGEMASS 330.33191999999997
SMILES O(C2c(c3)cccc3)c(c1O)c(C(=O)C2)c(c(c1OC)OC)OC
M END
