Mol:FL5FFAGL0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
-2.3246 1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3246 0.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7683 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2120 0.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2120 1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7683 1.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6557 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0994 0.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0994 1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6557 1.8887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6557 0.1031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4567 1.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0237 1.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5906 1.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5906 2.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0237 2.8706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4567 2.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7683 -0.0382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8807 1.8885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1574 2.8705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2947 0.5362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0833 -0.4909 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.4119 -0.1033 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.6250 -0.8488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4119 -1.5987 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.0833 -1.9865 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.8704 -1.2409 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.8904 0.2290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4020 -1.5479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4191 -2.9284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9605 -0.5928 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.6859 -0.5928 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.1645 -0.0885 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.9863 0.6189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2609 0.6190 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.7822 0.1145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.4494 0.4997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4014 -1.0337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8375 -1.1585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8807 -0.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1065 -2.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1062 -2.4325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4903 2.4617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0538 3.3614 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
1 19 1 0 0 0 0
15 20 1 0 0 0 0
8 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
27 29 1 0 0 0 0
26 30 1 0 0 0 0
23 21 1 0 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 1 0 0 0
36 31 1 1 0 0 0
36 37 1 0 0 0 0
31 38 1 0 0 0 0
32 39 1 0 0 0 0
33 40 1 0 0 0 0
35 28 1 0 0 0 0
25 41 1 0 0 0 0
41 42 1 0 0 0 0
6 43 1 0 0 0 0
43 44 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 41 42
M SBL 2 1 45
M SMT 2 CH2OH
M SVB 2 45 0.886 -2.2872
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 43 44
M SBL 1 1 47
M SMT 1 OCH3
M SVB 1 47 -1.4903 2.4617
S SKP 8
ID FL5FFAGL0006
KNApSAcK_ID C00005358
NAME Sexangularetin 3-neohesperidoside;8-Methoxykaempferol 3-O-beta-D-(2''-O-alpha-L-rhamnopyranosyl)glucopyranoside;3-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-methoxy-4H-1-benzopyran-4-one
CAS_RN 151029-71-9
FORMULA C28H32O16
EXACTMASS 624.1690349759999
AVERAGEMASS 624.54408
SMILES O([C@H](CO)5)[C@H](C(C(O)[C@@H](O)5)O[C@H]([C@@H](O)4)OC(C)[C@H]([C@H]4O)O)OC(C(=O)2)=C(Oc(c3OC)c2c(cc(O)3)O)c(c1)ccc(c1)O
M END
