Mol:FL4DADNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-1.8429 -0.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3220 -1.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8011 -0.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8011 -0.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3220 0.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8429 -0.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2802 -1.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2407 -0.7462 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.2407 -0.1447 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.2802 0.1560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7610 0.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2802 -1.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2954 -0.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8298 0.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8298 0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2954 1.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7610 0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3632 0.1557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6721 -1.1775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3220 -1.6478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8298 0.7728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5621 1.6478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9880 2.5525 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 6 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
6 18 1 0 0 0 0
8 19 1 1 0 0 0
2 20 1 0 0 0 0
15 21 1 0 0 0 0
16 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 SVB 1 24 1.5621 1.6478
S SKP 8
ID FL4DADNS0001
KNApSAcK_ID C00008579
NAME Dihydroisorhamnetin
CAS_RN 55812-91-4
FORMULA C16H14O7
EXACTMASS 318.073952802
AVERAGEMASS 318.27816
SMILES COc(c(O)3)cc(cc3)[C@@H](O1)[C@@H](O)C(=O)c(c(O)2)c(cc(O)c2)1
M END
