Mol:FL3FF8GS0012
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
-1.7953 2.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7953 1.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0809 1.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3664 1.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3664 2.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0809 2.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3481 1.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0625 1.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0625 2.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3481 2.7558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7770 2.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4915 2.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2060 2.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2060 3.5808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4915 3.9933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7770 3.5808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3481 0.2808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5150 2.6903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4915 1.5832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0809 0.2479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0809 3.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2060 2.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5963 3.9647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5277 -0.7164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3529 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5713 0.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1648 0.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3395 0.6531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1210 -0.1428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5353 0.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0553 -0.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7043 -1.3765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9042 -0.9756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0396 -0.3895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5329 -3.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0336 -2.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8518 -2.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1693 -3.3377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6685 -3.9933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8503 -3.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3216 -3.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6263 -2.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4531 -2.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9505 -2.8287 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
43 32 1 0 0 0 0
S SKP 8
ID FL3FF8GS0012
KNApSAcK_ID C00013655
NAME Skullcapflavone I 2'-(4''-E-Cinnamoylglucoside);5-Hydroxy-7,8-dimethoxy-2-[2-[[4-O-[(2E)-1-oxo-3-phenyl-2-propenyl]-beta-D-glucopyranosyl]oxy]phenyl]-4H-1-benzopyran-4-one
CAS_RN 393825-51-9
FORMULA C32H30O12
EXACTMASS 606.173726424
AVERAGEMASS 606.5734
SMILES c(c3)ccc(c3OC(C5O)OC(C(C(O)5)OC(C=Cc(c4)cccc4)=O)CO)C(O1)=CC(c(c2O)c1c(c(OC)c2)OC)=O
M END
