Mol:FL5FAAGL0069
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
43 47 0 0 0 0 0 0 0 0999 V2000
-3.0074 1.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0074 1.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4511 0.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8948 1.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8948 1.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4511 2.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3385 0.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7822 1.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7822 1.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3385 2.2684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3385 0.4829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2261 2.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3409 1.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9078 2.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9078 2.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3409 3.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2261 2.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1341 0.7546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9113 1.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5237 0.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2691 0.7876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0191 0.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4068 1.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6613 1.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1842 1.0512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9302 1.4986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8931 1.1157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4746 3.2503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4511 0.3416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6183 2.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6481 0.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9936 -0.0240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9532 -0.7959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6183 -0.7959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3345 -1.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3345 -1.9096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7029 -2.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1394 -1.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5758 -2.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5758 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1394 -3.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7029 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0126 -3.2502 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
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
15 28 1 0 0 0 0
3 29 1 0 0 0 0
1 30 1 0 0 0 0
22 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
33 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 41 1 0 0 0 0
41 42 2 0 0 0 0
42 37 1 0 0 0 0
40 43 1 0 0 0 0
S SKP 8
ID FL5FAAGL0069
KNApSAcK_ID C00005851
NAME Tiliroside
CAS_RN 20316-62-5
FORMULA C30H26O13
EXACTMASS 594.137340918
AVERAGEMASS 594.51964
SMILES C(c(c5)ccc(O)c5)=CC(=O)OCC(O1)C(O)C(O)C(O)C(OC(=C2c(c4)ccc(c4)O)C(c(c(O)3)c(cc(O)c3)O2)=O)1
M END
