Mol:FL3FCCCS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
-0.4086 0.5505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4086 -0.0918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1477 -0.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7040 -0.0918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7040 0.5505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1477 0.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2603 -0.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8166 -0.0918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8166 0.5505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2603 0.8717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2603 -0.9138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1477 -1.0551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4964 0.9747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0827 0.6363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6689 0.9747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6689 1.6516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0827 1.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4964 1.6516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2547 1.9899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9620 -0.3363 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.4464 -0.9138 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.9307 -0.6045 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.2295 -0.6870 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.7245 -0.2332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2814 -0.5013 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.3936 -0.5856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0887 -0.9963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6214 -1.1403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7045 -1.8626 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.1889 -2.4401 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.6732 -2.1307 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.9720 -2.2132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.4670 -1.7595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0239 -2.0276 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-4.2547 -2.1803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8312 -2.5226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3639 -2.6666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0827 2.6666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1515 -1.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9483 -1.4156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4876 0.4194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4420 0.7180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7658 1.1693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2657 2.0354 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
3 12 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
9 13 1 0 0 0 0
16 19 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
2 23 1 0 0 0 0
22 28 1 0 0 0 0
29 30 1 1 0 0 0
30 31 1 1 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 29 1 0 0 0 0
29 35 1 0 0 0 0
30 36 1 0 0 0 0
31 37 1 0 0 0 0
32 28 1 0 0 0 0
17 38 1 0 0 0 0
34 39 1 0 0 0 0
39 40 1 0 0 0 0
25 41 1 0 0 0 0
41 42 1 0 0 0 0
1 43 1 0 0 0 0
43 44 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 41 42
M SBL 3 1 45
M SMT 3 CH2OH
M SVB 3 45 -2.4876 0.4194
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 39 40
M SBL 2 1 43
M SMT 2 CH2OH
M SVB 2 43 -3.1515 -1.6291
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 -0.7658 1.1693
S SKP 8
ID FL3FCCCS0003
KNApSAcK_ID C00006259
NAME Luteoayamenin
CAS_RN 77795-23-4
FORMULA C28H32O16
EXACTMASS 624.1690349759999
AVERAGEMASS 624.54408
SMILES O(c23)C(=CC(c2c(c([C@H](O5)[C@H]([C@@H](O)[C@@H](O)C5CO)O[C@@H]([C@@H](O)4)OC([C@H](O)[C@@H]4O)CO)c(OC)c3)O)=O)c(c1)cc(c(c1)O)O
M END
