Mol:FL5FABGI0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
47 51 0 0 0 0 0 0 0 0999 V2000
-2.7187 0.5765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7187 -0.0658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1624 -0.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6061 -0.0658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6061 0.5765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1624 0.8977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0498 -0.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4935 -0.0658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4935 0.5765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0498 0.8977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0498 -0.8879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0626 0.8976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6296 0.5702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1966 0.8976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1966 1.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6296 1.8796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0626 1.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2748 0.8976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0993 -0.4547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1624 -1.0291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1624 1.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7185 1.8609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7185 2.5030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1624 2.8241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2746 2.8241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7513 -1.4141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2867 -1.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1168 -1.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2867 -0.5307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7513 -0.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9211 -0.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5777 -0.8160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8888 -1.9273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1575 -2.2053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6454 -1.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3807 -2.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9161 -2.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7462 -1.7475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9161 -1.1495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3807 -0.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5505 -1.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2070 -1.4348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5182 -2.5461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7869 -2.8241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2748 -2.0527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7634 1.8795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4779 1.4670 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
1 18 1 0 0 0 0
8 19 1 0 0 0 0
3 20 1 0 0 0 0
6 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 1 0 0 0
31 26 1 1 0 0 0
31 32 1 0 0 0 0
26 33 1 0 0 0 0
27 34 1 0 0 0 0
28 35 1 0 0 0 0
30 19 1 0 0 0 0
37 36 1 1 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
40 41 1 1 0 0 0
41 36 1 1 0 0 0
41 42 1 0 0 0 0
36 43 1 0 0 0 0
37 44 1 0 0 0 0
38 45 1 0 0 0 0
40 32 1 0 0 0 0
15 46 1 0 0 0 0
46 47 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 46 47
M SBL 1 1 50
M SMT 1 OCH3
M SBV 1 50 -6.7677 4.7607
S SKP 8
ID FL5FABGI0005
KNApSAcK_ID C00005822
NAME Anhydroicaritin 3-rhamnosyl-(1->2)-rhamnoside
CAS_RN 135293-13-9
FORMULA C33H40O14
EXACTMASS 660.241805988
AVERAGEMASS 660.6623
SMILES c(c1OC)cc(C(=C(OC(O4)C(OC(C(O)5)OC(C(O)C5O)C)C(C(O)C4C)O)2)Oc(c3CC=C(C)C)c(c(O)cc3O)C(=O)2)cc1
M END
