Mol:FLIAALNI0010
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
29 31 0 0 0 0 0 0 0 0999 V2000
-2.8761 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8761 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3198 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7635 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7635 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3198 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2072 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6509 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6509 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2072 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0948 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0948 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5000 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0947 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0947 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5000 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2072 -0.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4322 1.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3198 -0.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6889 0.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2712 0.1717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8523 0.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4322 0.1724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8523 1.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5000 1.1943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9607 -1.0220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8267 -1.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0826 -1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7971 -1.4494 0.0000 C 0 0 0 0 0 0 0 0 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
8 11 1 0 0 0 0
11 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 11 2 0 0 0 0
1 2 1 0 0 0 0
7 17 2 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
15 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
16 25 1 0 0 0 0
14 26 1 0 0 0 0
26 27 1 0 0 0 0
13 28 1 0 0 0 0
28 29 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 30
M SMT 2 OCH3
M SVB 2 30 0.0826 -1.0369
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 28
M SMT 1 OCH3
M SVB 1 28 1.3317 -0.7282
S SKP 8
ID FLIAALNI0010
KNApSAcK_ID C00009881
NAME 2'-Hydroxypiscerythrinetin;5,7,2'-Trihydroxy-4',5'-dimethoxy-3'-prenylisoflavone
CAS_RN 126484-17-1
FORMULA C22H22O7
EXACTMASS 398.136553058
AVERAGEMASS 398.40588
SMILES c(O2)(c1C(C(c(c3O)cc(c(OC)c3CC=C(C)C)OC)=C2)=O)cc(O)cc1O
M END
