Mol:FL5FAAGI0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
48 52 0 0 0 0 0 0 0 0999 V2000
-1.3407 -0.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3407 -0.9565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7844 -1.2777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2281 -0.9565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2281 -0.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7844 0.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3282 -1.2777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8845 -0.9565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8845 -0.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3282 0.0070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3282 -1.7786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4406 0.0069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0076 -0.3205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5746 0.0069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5746 0.6616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0076 0.9889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4406 0.6616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8968 0.0069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1414 0.9888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2787 -1.3454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7844 -1.9199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7844 0.6491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3405 0.9702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3405 1.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7844 1.9334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8966 1.9334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8300 -0.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4588 -0.5596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9244 -0.3518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4086 -0.3462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7834 0.0287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2510 -0.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3439 -0.3663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0375 -0.5878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6181 -0.8659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4168 -1.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1160 -1.5476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6945 -1.3822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2764 -1.5476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5773 -1.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9988 -1.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8581 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2370 -0.7793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0114 -1.2772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6294 -1.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3439 -1.9334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6494 0.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8525 0.3525 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
27 28 1 1 0 0 0
28 29 1 1 0 0 0
30 29 1 1 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 27 1 0 0 0 0
27 33 1 0 0 0 0
28 34 1 0 0 0 0
29 35 1 0 0 0 0
30 18 1 0 0 0 0
36 37 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 36 1 0 0 0 0
36 42 1 0 0 0 0
41 43 1 0 0 0 0
40 44 1 0 0 0 0
37 20 1 0 0 0 0
39 45 1 0 0 0 0
45 46 1 0 0 0 0
32 47 1 0 0 0 0
47 48 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 45 46
M SBL 1 1 49
M SMT 1 CH2OH
M SBV 1 49 -5.6036 3.5694
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 47 48
M SBL 2 1 51
M SMT 2 ^CH2OH
M SBV 2 51 -6.3550 4.3269
S SKP 8
ID FL5FAAGI0007
KNApSAcK_ID C00005810
NAME Hexandraside E;8-Prenylkaempferol 3,7-diglucoside;Noranhydroicaritin 3,7-diglucoside;3,4',5,7-Tetrahydroxy-8-(3-methyl-2-butenyl)flavone 3,7-diglucoside;3,7-Bis(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
CAS_RN 139955-75-2
FORMULA C32H38O16
EXACTMASS 678.215985168
AVERAGEMASS 678.63452
SMILES c(c(O)4)(C2=O)c(c(CC=C(C)C)c(OC(C5O)OC(C(O)C5O)CO)c4)OC(=C(OC(C3O)OC(C(C3O)O)CO)2)c(c1)ccc(c1)O
M END
