Mol:FLIAFLNI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
32 34 0 0 0 0 0 0 0 0999 V2000
-1.6282 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6282 0.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0719 -0.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5156 0.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5156 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0719 1.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0407 -0.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5970 0.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5970 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0407 1.1629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1531 -0.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1531 -0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7479 -1.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3427 -0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3427 -0.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7479 0.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0407 -0.7639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1843 -0.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1843 1.1628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0719 -0.7639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1843 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7392 -1.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7392 -1.7236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2941 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7939 1.7359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3574 2.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3305 -1.3234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0450 -1.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2087 -1.3085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0748 -1.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0450 0.8057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7595 0.3932 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
2 18 1 0 0 0 0
1 19 1 0 0 0 0
3 20 1 0 0 0 0
18 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
6 25 1 0 0 0 0
25 26 1 0 0 0 0
13 27 1 0 0 0 0
27 28 1 0 0 0 0
14 29 1 0 0 0 0
29 30 1 0 0 0 0
16 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 31 32
M SBL 4 1 33
M SMT 4 OCH3
M SVB 4 33 2.045 0.8057
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 29 30
M SBL 3 1 31
M SMT 3 OCH3
M SVB 3 31 2.5796 -1.0148
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 27 28
M SBL 2 1 29
M SMT 2 OCH3
M SVB 2 29 1.3305 -1.3234
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 27
M SMT 1 OCH3
M SVB 1 27 -0.7939 1.7359
S SKP 8
ID FLIAFLNI0001
KNApSAcK_ID C00009914
NAME 6-Prenylisocaviunin;5,7-Dihydroxy-8,2',4',5'-tetramethoxy-6-prenylisoflavone
CAS_RN 132923-42-3
FORMULA C24H26O8
EXACTMASS 442.162767808
AVERAGEMASS 442.45844
SMILES O(C)c(c31)c(O)c(CC=C(C)C)c(c1C(=O)C(=CO3)c(c2OC)cc(c(c2)OC)OC)O
M END
