Mol:FL3FF8GS0011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
-1.8276 2.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8276 1.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1132 0.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3987 1.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3987 2.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1132 2.4506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3158 0.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0303 1.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0303 2.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3158 2.4506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7447 2.4506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4592 2.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1737 2.4506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1737 3.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4592 3.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7447 3.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3158 -0.0244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5472 2.3850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4592 1.2780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1132 -0.0573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1132 3.1441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2382 1.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6286 3.6595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4954 -1.0217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3207 -1.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5390 -0.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1325 0.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3072 0.3478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0887 -0.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5030 -0.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0230 -0.5677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6720 -1.6818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8719 -1.2809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0073 -0.6948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7548 -2.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2541 -2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5641 -2.2709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8816 -3.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3808 -3.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4374 -3.5822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6093 -2.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9141 -1.9791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7409 -1.8722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2382 -2.5235 0.0000 O 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
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
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 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 11 1 0 0 0 0
7 17 2 0 0 0 0
18 1 1 0 0 0 0
12 19 1 0 0 0 0
3 20 1 0 0 0 0
6 21 1 0 0 0 0
18 22 1 0 0 0 0
21 23 1 0 0 0 0
24 25 1 1 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 24 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
24 32 1 0 0 0 0
25 33 1 0 0 0 0
26 34 1 0 0 0 0
27 19 1 0 0 0 0
35 36 2 0 0 0 0
36 37 1 0 0 0 0
37 38 2 0 0 0 0
38 39 1 0 0 0 0
39 40 2 0 0 0 0
40 35 1 0 0 0 0
35 41 1 0 0 0 0
41 42 2 0 0 0 0
42 43 1 0 0 0 0
43 44 2 0 0 0 0
34 43 1 0 0 0 0
S SKP 8
ID FL3FF8GS0011
KNApSAcK_ID C00013654
NAME Skullcapflavone I 2'-(2''-E-cinnamoylglucoside);5-Hydroxy-7,8-dimethoxy-2-[2-[[2-O-[(2E)-1-oxo-3-phenyl-2-propenyl]-beta-D-glucopyranosyl]oxy]phenyl]-4H-1-benzopyran-4-one
CAS_RN 245472-32-6
FORMULA C32H30O12
EXACTMASS 606.173726424
AVERAGEMASS 606.5734
SMILES c(c(OC(C4OC(=O)C=Cc(c5)cccc5)OC(CO)C(O)C4O)1)cccc1C(=C3)Oc(c(C3=O)2)c(c(cc(O)2)OC)OC
M END
