Mol:FLIAALNI0021
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-1.4083 0.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4083 -0.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8520 -0.7199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2957 -0.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2957 0.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8520 0.5648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2606 -0.7199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8169 -0.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8169 0.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2606 0.5648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3730 -0.7198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3730 -1.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9678 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5626 -1.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5626 -0.7198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9678 -0.3764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2606 -1.3620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9644 0.5647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8520 -1.3620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8520 1.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4159 1.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4159 2.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8527 2.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9792 2.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9644 -0.7198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9644 -1.3605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5193 -1.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5193 -2.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0730 -1.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1106 -2.4218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7936 -2.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0730 -1.8661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2649 0.2076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9794 -0.2049 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
6 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
2 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
13 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 14 1 0 0 0 0
16 33 1 0 0 0 0
33 34 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 33 34
M SBL 1 1 36
M SMT 1 OCH3
M SBV 1 36 -4.8402 3.7977
S SKP 8
ID FLIAALNI0021
KNApSAcK_ID C00009942
NAME Euchrenone b4;5,7-Dihydroxy-2'-methoxy-4',5'-methylenedioxy-6,8-diprenylisoflavone
CAS_RN 121795-46-8
FORMULA C27H28O7
EXACTMASS 464.18350325
AVERAGEMASS 464.50702
SMILES C(O1)=C(c(c(OC)4)cc(c3c4)OCO3)C(c(c2O)c1c(c(O)c(CC=C(C)C)2)CC=C(C)C)=O
M END
