Mol:FL2FA9GS0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-1.5411 0.8112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0202 0.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4993 0.8112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4993 1.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0202 1.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5411 1.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0216 0.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5425 0.8112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5425 1.4127 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0216 1.7134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0216 -0.0134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0202 -0.0904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1222 1.7121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6509 1.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1796 1.7121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1796 2.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6509 2.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1222 2.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8349 -2.1550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.2528 -2.0048 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.2805 -1.4101 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.9899 -0.8969 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6283 -1.1222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5720 -1.7419 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.8349 -2.6279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7472 -1.4028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0598 -2.2804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1796 -1.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0799 -1.7645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8983 2.0314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3983 2.8974 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
7 11 2 0 0 0 0
2 12 1 0 0 0 0
9 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
19 20 1 1 0 0 0
20 21 1 1 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
21 26 1 0 0 0 0
22 12 1 0 0 0 0
20 27 1 0 0 0 0
24 28 1 0 0 0 0
28 29 1 0 0 0 0
6 30 1 0 0 0 0
30 31 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 28 29
M SBL 2 1 31
M SMT 2 CH2OH
M SVB 2 31 -2.1796 -1.3291
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 33
M SMT 1 OCH3
M SVB 1 33 -1.8983 2.0314
S SKP 8
ID FL2FA9GS0008
KNApSAcK_ID C00008484
NAME Pinostrobin 5-O-glucoside
CAS_RN 115799-14-9
FORMULA C22H24O9
EXACTMASS 432.14203236599997
AVERAGEMASS 432.42056
SMILES O(c(c42)cc(OC)cc2OC(CC4=O)c(c3)cccc3)[C@@H]([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O
M END
