Mol:FL5FABGI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
37 40 0 0 0 0 0 0 0 0999 V2000
-2.3972 0.4648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3972 -0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8409 -0.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2846 -0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2846 0.4648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8409 0.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7283 -0.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1720 -0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1720 0.4648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7283 0.7860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7283 -0.9996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3841 0.7859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9511 0.4585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5180 0.7859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5180 1.4406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9511 1.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3841 1.4406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8409 -1.1409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3841 -0.4986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0081 0.6633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8409 1.4281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3970 1.7492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3970 2.3913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9531 2.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8409 2.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3821 -1.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0104 -2.1467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8110 -1.4492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0104 -0.7475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3821 -0.3847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5814 -1.0822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3518 -1.0822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5435 -2.3862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8588 -2.7124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4312 -1.8073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2937 1.8204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0081 1.4079 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
3 18 1 0 0 0 0
8 19 1 0 0 0 0
1 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
15 36 1 0 0 0 0
36 37 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 36 37
M SBL 1 1 39
M SMT 1 OCH3
M SBV 1 39 -5.7012 5.0934
S SKP 8
ID FL5FABGI0001
KNApSAcK_ID C00005818
NAME Icariside II;Baohuoside 1;3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
CAS_RN 113558-15-9
FORMULA C27H30O10
EXACTMASS 514.18389718
AVERAGEMASS 514.5211
SMILES O(c(c4)ccc(c4)C(=C2OC(C(O)3)OC(C)C(C(O)3)O)Oc(c1CC=C(C)C)c(C(=O)2)c(cc(O)1)O)C
M END
