Mol:FL5FAAGL0063
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
42 45 0 0 0 0 0 0 0 0999 V2000
-4.3874 1.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3874 0.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8311 0.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2748 0.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2748 1.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8311 1.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7185 0.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1622 0.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1622 1.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7185 1.3421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7185 -0.4435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6061 1.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0391 1.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4722 1.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4722 1.9967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0391 2.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6061 1.9967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5141 -0.1717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4687 0.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8563 -0.3518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1109 -0.1387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6391 -0.3518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0268 0.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2813 0.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1958 0.1248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5502 0.5723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5131 0.1894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0946 2.3239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8311 -0.5848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9983 1.2194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2681 -0.3518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6136 -0.9503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6136 -1.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1133 -1.9698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2459 -2.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8771 -1.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8771 -1.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0492 -2.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5849 -2.0903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2922 -1.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9983 -2.0896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2922 -0.8666 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
19 20 1 0 0 0 0
20 21 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
24 26 1 0 0 0 0
23 27 1 0 0 0 0
20 18 1 0 0 0 0
18 8 1 0 0 0 0
22 21 1 1 0 0 0
15 28 1 0 0 0 0
3 29 1 0 0 0 0
1 30 1 0 0 0 0
22 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 1 0 0 0 0
36 37 1 0 0 0 0
36 38 1 0 0 0 0
36 39 1 0 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
40 42 2 0 0 0 0
S SKP 8
ID FL5FAAGL0063
KNApSAcK_ID C00005845
NAME Kaempferol 3-[6''-(3-hydroxy-3-methylglutaryl)glucoside];3-[[6-O-(4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 157407-84-6
FORMULA C27H28O15
EXACTMASS 592.1428202259999
AVERAGEMASS 592.5022200000001
SMILES OC(C1O)C(O)C(OC(C(=O)2)=C(c(c4)ccc(c4)O)Oc(c3)c2c(O)cc(O)3)OC1COC(=O)CC(CC(O)=O)(C)O
M END
