Mol:FL3FA8CS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
2.3218 1.0740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3218 0.2490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0363 -0.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7508 0.2490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7508 1.0740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0363 1.4865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5682 -0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8537 0.2263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1392 -0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1392 -1.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8537 -1.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5682 -1.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5753 0.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2897 -0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2897 -1.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5753 -1.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9608 0.2012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5753 -2.1632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8537 -1.9957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9979 -0.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5595 -1.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7693 -1.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9667 -1.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4064 -0.8618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1967 -1.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3749 -0.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8645 -0.2607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4632 -1.4026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1262 -1.4837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9174 -2.0090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0363 2.1632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0363 -0.9598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7058 1.4296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4632 -0.1623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 13 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 10 1 0 0 0 0
14 17 1 0 0 0 0
16 18 1 0 0 0 0
11 19 2 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
25 26 1 0 0 0 0
26 27 1 0 0 0 0
20 28 1 0 0 0 0
21 29 1 0 0 0 0
22 30 1 0 0 0 0
6 31 1 0 0 0 0
23 15 1 0 0 0 0
3 32 1 0 0 0 0
1 33 1 0 0 0 0
4 34 1 0 0 0 0
S SKP 8
ID FL3FA8CS0001
KNApSAcK_ID C00014020
NAME Telephioidin;6-C-beta-D-glucopyranosyl-5,7,2',3',5',6'-hexahydroxyflavone
CAS_RN 274688-04-9
FORMULA C21H20O13
EXACTMASS 480.090390726
AVERAGEMASS 480.37569999999994
SMILES c(C(=O)4)(c2OC(=C4)c(c(O)3)c(O)c(cc3O)O)c(c(c(O)c2)C(C(O)1)OC(CO)C(O)C1O)O
M END
