Mol:FL5F1ANS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-2.0624 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0624 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9498 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9498 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3935 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1628 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1628 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3935 0.4018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3935 -1.3837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7189 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2859 0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8528 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8528 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2859 1.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7189 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7189 -0.8828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4197 1.3836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4197 0.6994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9197 1.5654 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
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 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 1 0 0 0 0
15 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 -2.4197 0.6994
S SKP 8
ID FL5F1ANS0002
KNApSAcK_ID C00004541
NAME 5-Deoxyrhamnocitrin
CAS_RN 84638-53-9
FORMULA C16H12O5
EXACTMASS 284.068473494
AVERAGEMASS 284.26348
SMILES COc(c3)cc(O1)c(c3)C(=O)C(O)=C1c(c2)ccc(O)c2
M END
