Mol:FL5FAAGI0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
47 51 0 0 0 0 0 0 0 0999 V2000
-0.7394 0.5043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7394 -0.1380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1831 -0.4592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3732 -0.1380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3732 0.5043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1831 0.8255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9295 -0.4592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4858 -0.1380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4858 0.5043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9295 0.8255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9295 -0.9600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0419 0.8254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6088 0.4981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1758 0.8254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1758 1.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6088 1.8074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0419 1.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2955 0.8254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7426 1.8073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8799 -0.5269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1831 -1.1013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1831 1.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7392 1.7887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7392 2.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1831 2.7519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2953 2.7519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6274 -1.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1628 -2.2698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9929 -1.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1628 -1.0773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6274 -0.7681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7972 -1.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4538 -1.3626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7649 -2.4739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0336 -2.7519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5215 -1.9805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2288 0.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8576 0.2589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3231 0.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8074 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1821 0.8472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6497 0.6004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7426 0.4522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4362 0.2307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0169 -0.0474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0482 1.3846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2513 1.1710 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
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
37 38 1 1 0 0 0
38 39 1 1 0 0 0
40 39 1 1 0 0 0
40 41 1 0 0 0 0
41 42 1 0 0 0 0
42 37 1 0 0 0 0
37 43 1 0 0 0 0
38 44 1 0 0 0 0
39 45 1 0 0 0 0
40 18 1 0 0 0 0
42 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 ^CH2OH
M SBV 1 50 -5.7538 5.1454
S SKP 8
ID FL5FAAGI0008
KNApSAcK_ID C00005811
NAME Epimedoside A
CAS_RN 39012-04-9
FORMULA C32H38O15
EXACTMASS 662.221070546
AVERAGEMASS 662.6351199999999
SMILES C(C(O)1)(O)C(Oc(c5)c(CC=C(C)C)c(c3c5O)OC(c(c4)ccc(c4)O)=C(C3=O)OC(C2O)OC(C)C(O)C2O)OC(C(O)1)CO
M END
