Mol:FL5FCBGL0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
45 49 0 0 0 0 0 0 0 0999 V2000
-3.0349 1.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0349 1.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4786 0.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9223 1.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9223 1.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4786 2.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3660 0.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8097 1.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8097 1.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3660 2.2684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3660 0.4829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2536 2.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3133 1.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8803 2.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8803 2.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3133 3.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2536 2.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1616 0.7546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8838 1.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4962 0.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2416 0.7876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9916 0.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3793 1.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6338 1.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1567 1.0512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9026 1.4986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8656 1.1157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4786 0.3416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6205 0.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9661 -0.0240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9257 -0.7959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5908 -0.7959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3069 -1.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3069 -1.9096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6754 -2.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1119 -1.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5483 -2.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5483 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1119 -3.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6754 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0150 -3.2502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5908 2.5291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7939 2.3156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4471 3.2503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1616 2.8378 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
3 28 1 0 0 0 0
22 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 2 0 0 0 0
31 33 1 0 0 0 0
33 34 2 0 0 0 0
34 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 35 1 0 0 0 0
38 41 1 0 0 0 0
1 42 1 0 0 0 0
42 43 1 0 0 0 0
15 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 42 43
M SBL 1 1 46
M SMT 1 ^OCH3
M SBV 1 46 -5.9998 7.9947
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 44 45
M SBL 2 1 48
M SMT 2 OCH3
M SBV 2 48 -4.8771 7.7401
S SKP 8
ID FL5FCBGL0002
KNApSAcK_ID C00005933
NAME Kaempferol 7,4'-dimethyl ether 3-(6''-(E)-p-coumarylglucoside)
CAS_RN -
FORMULA C32H30O13
EXACTMASS 622.168641046
AVERAGEMASS 622.5728
SMILES OC(C(O)2)C(OC(C4=O)=C(c(c5)ccc(c5)OC)Oc(c43)cc(cc3O)OC)OC(C2O)COC(C=Cc(c1)ccc(c1)O)=O
M END
