Mol:FL5FAAGS0111
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
46 50 0 0 0 0 0 0 0 0999 V2000
1.1286 4.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1286 3.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8431 2.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5575 3.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5575 4.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8431 4.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4141 2.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3004 3.2702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0148 2.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0148 2.0327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3004 1.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4141 2.0327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7293 3.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4438 2.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4438 2.0327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7293 1.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3004 0.9020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1582 3.2702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0204 1.6827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1582 4.4421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7293 0.9207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9075 -0.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1936 0.4427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2422 -1.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7599 -1.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0978 -2.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9259 -2.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2653 -3.3373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7858 -4.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9629 -3.9252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6235 -3.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0753 -4.5077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2659 -0.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0874 -0.7018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2312 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7689 0.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9473 0.6604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8034 -0.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7998 0.1631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6884 -1.1820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3448 -0.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0895 -0.1215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3395 -1.5749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9219 -1.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4698 -2.0659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3782 -2.1983 0.0000 C 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
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
5 20 1 0 0 0 0
16 21 1 0 0 0 0
22 23 2 0 0 0 0
22 24 1 0 0 0 0
24 25 2 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
28 29 2 0 0 0 0
29 30 1 0 0 0 0
30 31 2 0 0 0 0
31 26 1 0 0 0 0
29 32 1 0 0 0 0
33 34 1 1 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
35 39 1 0 0 0 0
34 40 1 0 0 0 0
38 41 1 0 0 0 0
41 42 1 0 0 0 0
33 43 1 0 0 0 0
40 44 1 0 0 0 0
44 45 2 0 0 0 0
44 46 1 0 0 0 0
42 22 1 0 0 0 0
36 19 1 0 0 0 0
S SKP 8
ID FL5FAAGS0111
KNApSAcK_ID C00013778
NAME Kaempferol 3-(3''-acetyl-6''-p-coumaroylglucoside);3-[[3-O-Acetyl-6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 557765-92-1
FORMULA C32H28O14
EXACTMASS 636.147905604
AVERAGEMASS 636.55632
SMILES C(OC(C(O)1)C(O)C(OC(=C(c(c5)ccc(O)c5)4)C(c(c3O4)c(O)cc(c3)O)=O)OC1COC(C=Cc(c2)ccc(O)c2)=O)(C)=O
M END
