Mol:FL5FAAGI0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
46 50 0 0 0 0 0 0 0 0999 V2000
-2.6362 0.7415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6362 0.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0799 -0.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5236 0.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5236 0.7415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0799 1.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9673 -0.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4110 0.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4110 0.7415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9673 1.0627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9673 -0.7229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1451 1.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7121 0.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2791 1.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2791 1.7173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7121 2.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1451 1.7173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1923 1.0626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8459 2.0445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0168 -0.2897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0799 -0.8641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0799 1.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6360 2.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6360 2.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0799 2.9891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1921 2.9891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7307 -1.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2661 -2.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0962 -1.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2661 -0.8401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7307 -0.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9005 -1.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5570 -1.1254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8682 -2.2367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1369 -2.5147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6248 -1.7433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2982 -2.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8336 -2.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6637 -1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8336 -1.3145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2982 -1.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4680 -1.5998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1245 -1.5998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4357 -2.7111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7044 -2.9891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1923 -2.2177 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
15 19 1 0 0 0 0
8 20 1 0 0 0 0
3 21 1 0 0 0 0
6 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
28 27 1 1 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 1 0 0 0
32 27 1 1 0 0 0
32 33 1 0 0 0 0
27 34 1 0 0 0 0
28 35 1 0 0 0 0
29 36 1 0 0 0 0
31 20 1 0 0 0 0
38 37 1 1 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
41 42 1 1 0 0 0
42 37 1 1 0 0 0
42 43 1 0 0 0 0
37 44 1 0 0 0 0
38 45 1 0 0 0 0
39 46 1 0 0 0 0
41 33 1 0 0 0 0
S SKP 8
ID FL5FAAGI0006
KNApSAcK_ID C00005809
NAME Noranhydroicaritin 3-rhamnosyl-(1->2)-rhamnoside
CAS_RN 135293-12-8
FORMULA C32H38O14
EXACTMASS 646.226155924
AVERAGEMASS 646.63572
SMILES c(c5O)cc(cc5)C(=C(OC(C3OC(C(O)4)OC(C(O)C4O)C)OC(C(O)C3O)C)2)Oc(c(C(=O)2)1)c(CC=C(C)C)c(O)cc1O
M END
