Mol:FL3FAAGS0074
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
51 56 0 0 0 0 0 0 0 0999 V2000
-2.2874 0.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2874 -0.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5729 -1.1591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8585 -0.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8585 0.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5729 0.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1440 -1.1591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5705 -0.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5705 0.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1440 0.4910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1440 -1.9841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2847 0.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0129 0.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7411 0.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7411 1.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0129 1.7520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2847 1.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5729 -1.9837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0016 0.4909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4690 1.7520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3977 1.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1806 1.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6178 0.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4255 0.0851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6425 0.0850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2053 0.6296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7553 1.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2185 1.9720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4803 1.0329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9976 -0.2452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2350 0.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0418 -0.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7858 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0418 1.5207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2350 1.9866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4910 1.0908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4803 1.0908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3817 -0.5234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8691 -0.9425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3981 0.1376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7983 -1.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7027 -1.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4196 -1.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0406 -1.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1586 -0.7259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4544 -1.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1121 -1.7478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7402 -1.9866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9270 -1.5412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6916 -0.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4089 -0.9011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 2 0
5 6 1 0
6 1 2 0
4 7 1 0
7 8 1 0
8 9 2 0
9 10 1 0
10 5 1 0
7 11 2 0
9 12 1 0
12 13 2 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 12 1 0
3 18 1 0
1 19 1 0
15 20 1 0
21 22 1 0
22 23 1 1
23 24 1 1
25 24 1 1
25 26 1 0
26 21 1 0
21 27 1 0
22 28 1 0
23 29 1 0
24 30 1 0
25 19 1 0
32 31 1 1
32 33 1 0
33 34 1 0
34 35 1 0
35 36 1 1
36 31 1 1
36 37 1 0
31 38 1 0
32 39 1 0
33 40 1 0
35 20 1 0
38 41 1 0
42 43 1 1
43 44 1 1
45 46 1 0
46 42 1 0
42 47 1 0
43 48 1 0
44 49 1 0
41 44 1 1
41 45 1 0
50 51 1 0
46 50 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 50 51
M SBL 1 1 56
M SMT 1 ^ CH2OH
M SBV 1 56 0.7628 -0.3795
S SKP 8
ID FL3FAAGS0074
KNApSAcK_ID
NAME Apigenin 7-rhamnoside-4'-glucosylrhamnoside
CAS_RN 149158-09-8
FORMULA C33H40O18
EXACTMASS 724.2214644759999
AVERAGEMASS 724.6599
SMILES O(C=1c(c6)ccc(c6)OC(C(O)4)OC(C(O)C4OC(O5)C(C(C(C(CO)5)O)O)O)C)c(c2)c(c(O)cc2OC(O3)C(C(C(O)C3C)O)O)C(C1)=O
AUTODRAW FALSE
M END
