Mol:FL5FAAGA0020
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
54 59 0 0 0 0 0 0 0 0999 V2000
-1.3339 1.2551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3339 0.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7776 0.2915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2213 0.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2213 1.2551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7776 1.5763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3350 0.2915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8913 0.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8913 1.2551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3350 1.5763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3350 -0.2093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4474 1.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0144 1.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5814 1.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5814 2.2308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0144 2.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4474 2.2308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7776 -0.3506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8900 1.5762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1482 2.5581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2855 0.2238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0741 -0.8033 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.4027 -0.4157 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.6157 -1.1611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4027 -1.9111 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.0741 -2.2989 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.8611 -1.5533 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.8812 -0.0834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4727 -1.6068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2767 -2.8554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8135 0.4495 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.2559 -0.1345 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.8930 0.1133 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5077 0.1199 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.0610 0.5667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.5037 0.2725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5663 -0.1681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2580 -0.4995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4989 -0.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3657 1.0282 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.8501 0.3476 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.1076 0.6363 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.3293 0.4791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.9118 1.1648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5614 0.8220 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-5.0795 0.6161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6539 0.3085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6822 -0.0778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0158 -1.9265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3013 -2.3389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7664 1.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7201 2.0479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8179 1.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6304 2.2025 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
1 19 1 0 0 0 0
15 20 1 0 0 0 0
8 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
27 29 1 0 0 0 0
26 30 1 0 0 0 0
23 21 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
32 37 1 0 0 0 0
33 38 1 0 0 0 0
28 31 1 0 0 0 0
34 39 1 0 0 0 0
40 41 1 1 0 0 0
41 42 1 1 0 0 0
43 42 1 1 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
45 40 1 0 0 0 0
40 46 1 0 0 0 0
41 47 1 0 0 0 0
42 48 1 0 0 0 0
43 19 1 0 0 0 0
25 49 1 0 0 0 0
49 50 1 0 0 0 0
45 51 1 0 0 0 0
51 52 1 0 0 0 0
35 53 1 0 0 0 0
53 54 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 53 54
M SBL 3 1 58
M SMT 3 CH2OH
M SVB 3 58 4.8863 0.2378
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 51 52
M SBL 2 1 56
M SMT 2 CH2OH
M SVB 2 56 -3.7664 1.7471
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 49 50
M SBL 1 1 54
M SMT 1 CH2OH
M SVB 1 54 1.0945 -2.1457
S SKP 8
ID FL5FAAGA0020
KNApSAcK_ID C00005222
NAME Kaempferol 3-glucosyl-(1->2)-galactoside-7-glucoside;3-[(2-O-beta-D-Glucopyranosyl-beta-D-galactopyranosyl)oxy]-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 142235-82-3
FORMULA C33H40O21
EXACTMASS 772.206208342
AVERAGEMASS 772.6581
SMILES c(c5)(O)c(c1cc(O[C@@H]([C@@H](O)6)OC(CO)[C@H](O)[C@@H]6O)5)C(C(O[C@H](O4)C(C(O)[C@H]([C@@H](CO)4)O)O[C@@H](O3)[C@@H]([C@H](O)[C@@H](C(CO)3)O)O)=C(c(c2)ccc(O)c2)O1)=O
M END
