Mol:FL5FAAGL0070
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
45 49 0 0 0 0 0 0 0 0999 V2000
-3.2567 0.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9852 -0.2558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3453 -0.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9768 0.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2483 0.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8882 0.8525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3369 0.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9685 0.6846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2400 1.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8799 1.3227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1252 -0.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8716 1.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2194 1.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1560 2.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1207 2.8653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7728 2.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1483 2.3861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1485 0.4597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9113 1.2460 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.5237 0.5746 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.2691 0.7876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0191 0.5746 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.4068 1.2460 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.6613 1.0330 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.1842 1.0512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9302 1.4986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8931 1.1157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2547 3.4015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0739 -0.8936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8942 0.2481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6481 0.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9936 -0.0240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9532 -0.7959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6183 -0.7959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3345 -1.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3345 -1.9096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7029 -2.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1394 -1.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5758 -2.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5758 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1394 -3.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7029 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0126 -3.2502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2186 -1.6555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2814 -0.7895 0.0000 C 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 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
39 44 1 0 0 0 0
44 45 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 44 45
M SBL 1 1 48
M SMT 1 OCH3
M SVB 1 48 0.2186 -1.6555
S SKP 8
ID FL5FAAGL0070
KNApSAcK_ID C00005852
NAME Kaempferol 3-(6''-ferulylglucoside);5,7-Dihydroxy-3-[[6-O-[3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 69200-62-0
FORMULA C31H28O14
EXACTMASS 624.147905604
AVERAGEMASS 624.5456200000001
SMILES C(=O)(OC[C@@H](O2)[C@H](O)C(O)C([C@H](OC(=C3c(c5)ccc(c5)O)C(c(c(O)4)c(cc(O)c4)O3)=O)2)O)C=Cc(c1)cc(c(O)c1)OC
M END
