Mol:FL5FAAGS0060
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
43 47 0 0 0 0 0 0 0 0999 V2000
-0.8426 -0.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8426 -1.1115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2863 -1.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2700 -1.1115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2700 -0.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2863 -0.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8263 -1.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3826 -1.1115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3826 -0.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8263 -0.1480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8263 -1.9335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9387 -0.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5057 -0.4754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0727 -0.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0727 0.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5057 0.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9387 0.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2863 -2.0748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8664 0.8859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3375 -0.1480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3211 -1.4633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3525 -0.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9814 -0.8796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4469 -0.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9311 -0.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3059 -0.2913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7735 -0.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8664 -0.6863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5600 -0.9078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1406 -1.1858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1323 0.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1323 0.5848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7772 1.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1033 1.7044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1172 1.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8483 1.6054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2715 1.6054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0005 1.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4584 1.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1874 1.6054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4584 2.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0005 2.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3544 1.6054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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
7 11 2 0 0 0 0
9 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 17 2 0 0 0 0
17 12 1 0 0 0 0
3 18 1 0 0 0 0
19 15 1 0 0 0 0
20 1 1 0 0 0 0
21 8 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 20 1 0 0 0 0
27 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
33 35 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 41 1 0 0 0 0
41 42 2 0 0 0 0
42 37 1 0 0 0 0
40 43 1 0 0 0 0
S SKP 8
ID FL5FAAGS0060
KNApSAcK_ID C00005873
NAME Kaempferol 7-(6''-p-coumarylglucoside);Biondnoid A;Buddlenoid A
CAS_RN 142750-32-1
FORMULA C30H26O13
EXACTMASS 594.137340918
AVERAGEMASS 594.51964
SMILES C(=O)(c32)C(=C(Oc(cc(OC(C(O)5)OC(C(O)C5O)COC(C=Cc(c4)ccc(O)c4)=O)cc3O)2)c(c1)ccc(O)c1)O
M END
