Mol:FL2FACGS0013
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-1.2447 0.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5320 0.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2415 -0.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5247 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1879 -0.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1843 0.1689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9042 -1.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6168 -0.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6132 0.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8969 0.5846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2670 0.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9830 0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6959 0.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6927 1.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9766 1.7963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2638 1.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9053 -1.7087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8701 0.5237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5247 -1.7963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3486 1.7653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3265 0.1975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8654 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4528 -1.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6544 -0.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8610 -1.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2735 -0.4805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0719 -0.6896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2289 -0.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7087 0.1733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3486 -0.9461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9015 -0.9185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8259 -1.6084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 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 2 1 0 0 0 0
5 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 6 1 0 0 0 0
9 11 1 6 0 0 0
11 12 2 0 0 0 0
12 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 11 1 0 0 0 0
7 17 2 0 0 0 0
1 18 1 0 0 0 0
4 19 1 0 0 0 0
14 20 1 0 0 0 0
13 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 3 1 0 0 0 0
S SKP 8
ID FL2FACGS0013
KNApSAcK_ID C00014334
NAME (2S)-5,7,3',4'-Tetrahydroxyflavanone 6-C-glucoside
CAS_RN 118040-45-2
FORMULA C21H22O11
EXACTMASS 450.116211546
AVERAGEMASS 450.39278
SMILES c(c1)c(C(C4)Oc(c3)c(C(=O)4)c(c(c(O)3)C(C(O)2)OC(CO)C(O)C2O)O)cc(c(O)1)O
M END
