Mol:FLNAA9GS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-0.4354 1.5299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1209 1.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6772 1.5299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2333 1.2089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2333 0.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8100 0.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3867 0.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3867 1.2089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8100 1.5418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1211 0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6772 0.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8100 -0.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2571 -0.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2571 -1.4133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8100 -1.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3629 -1.4133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3629 -0.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9631 1.5416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6873 -0.3744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4492 1.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0781 0.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5436 0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0278 0.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4026 1.1951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8702 0.9483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9631 0.8001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6567 0.5787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2373 0.3006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2687 1.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4718 1.5190 0.0000 O 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 7 2 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 4 1 0 0 0 0
2 10 1 0 0 0 0
10 11 2 0 0 0 0
11 5 1 0 0 0 0
6 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 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
8 18 2 0 0 0 0
11 19 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 1 1 0 0 0 0
25 29 1 0 0 0 0
29 30 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 32
M SMT 1 ^CH2OH
M SBV 1 32 -4.3349 5.6996
S SKP 8
ID FLNAA9GS0001
KNApSAcK_ID C00010197
NAME Serratin 7-O-glucoside;5,7-Dihydroxy-4-phenylcoumarin 7-O-glucoside
CAS_RN 83161-47-1
FORMULA C21H20O9
EXACTMASS 416.11073223799997
AVERAGEMASS 416.37809999999996
SMILES c(c3)(O)c(c2cc3OC(O4)C(O)C(O)C(O)C4CO)C(=CC(=O)O2)c(c1)cccc1
M END
