Mol:FL2FACGS0018
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
43 47 0 0 0 0 0 0 0 0999 V2000
-2.8606 2.4543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1480 2.8699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8575 1.6293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1407 1.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4281 1.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4317 2.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7118 1.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0009 1.6419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0028 2.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7191 2.8763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6510 2.8478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3670 2.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0799 2.8533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0767 3.6783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3607 4.0880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6478 3.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7107 0.5830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4861 2.8154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1407 0.4954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7326 4.0570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7105 2.4892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7318 -0.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5558 -0.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7294 0.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2899 1.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4659 1.3049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2922 0.4981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7368 0.6143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9196 -0.6797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2438 -0.4107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4861 0.7868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2042 0.3254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3815 0.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0693 0.9693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0098 -0.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4606 -1.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0888 -1.8803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7349 -1.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1072 -2.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6557 -3.3528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1680 -3.3071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5403 -2.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0275 -4.0880 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
22 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
35 36 2 0 0 0 0
36 37 1 0 0 0 0
37 38 2 0 0 0 0
38 39 1 0 0 0 0
39 40 2 0 0 0 0
40 41 1 0 0 0 0
41 42 2 0 0 0 0
42 37 1 0 0 0 0
40 43 1 0 0 0 0
32 28 1 0 0 0 0
25 21 1 0 0 0 0
S SKP 8
ID FL2FACGS0018
KNApSAcK_ID C00014339
NAME (2S)-5,7,3',4'-Tetrahydroxyflavanone 3'-(6-p-coumaroylglucoside)
CAS_RN 522623-06-9
FORMULA C30H28O13
EXACTMASS 596.152990982
AVERAGEMASS 596.53552
SMILES C(C(O)5)(C(OC(C5O)Oc(c(O)4)cc(cc4)C(C2)Oc(c3)c(c(O)cc3O)C2=O)COC(C=Cc(c1)ccc(O)c1)=O)O
M END
