Mol:FL3FACGSS003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
36 39 0 0 0 0 0 0 0 0999 V2000
2.6349 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6349 0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3493 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0638 0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0638 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3493 1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9204 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2059 0.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4915 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4915 -0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2059 -1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9204 -0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2230 0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9375 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9375 -0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2230 -1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2059 -1.7933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6520 0.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2230 -1.7609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7694 1.8016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6383 0.2433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2863 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8738 0.0480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0757 0.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2825 0.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6950 0.7448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4931 0.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6500 1.1215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1297 1.3984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7694 0.2794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3224 0.3070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2472 -0.3827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2472 -1.1487 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-2.6480 -1.1487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8563 -1.1487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2472 -1.8125 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 18 1 0 0 0 0
11 17 2 0 0 0 0
16 19 1 0 0 0 0
5 20 1 0 0 0 0
4 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 18 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
33 35 2 0 0 0 0
33 36 1 0 0 0 0
S SKP 8
ID FL3FACGSS003
KNApSAcK_ID C00013671
NAME Luteorin 7-(2''-sulfatoglucoside);Thalassiolin A;2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-[(2-O-sulfo-beta-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one
CAS_RN 207683-70-3
FORMULA C21H20O14S
EXACTMASS 528.057376038
AVERAGEMASS 528.4411
SMILES O(S(O)(=O)=O)C(C4O)C(OC(C4O)CO)Oc(c3)cc(c(c(O)3)2)OC(=CC(=O)2)c(c1)cc(c(O)c1)O
M END
