Mol:FL5FCAGS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-1.1133 0.7207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1133 0.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5570 -0.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0007 0.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0007 0.7207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5570 1.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5556 -0.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1119 0.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1119 0.7207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5556 1.0419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5556 -0.7437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6680 1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2350 0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8019 1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8019 1.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2350 2.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6680 1.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5453 -0.3551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5570 -0.8850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4359 2.0624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8163 -1.1024 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.3687 -1.6931 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.7242 -1.4425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.1023 -1.4358 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.5542 -0.9838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1181 -1.2814 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.4359 -1.4601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0664 -1.7271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3550 -2.0624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4705 1.3394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9705 2.2054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2698 -0.4919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2146 -0.1643 0.0000 O 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
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
8 18 1 0 0 0 0
3 19 1 0 0 0 0
20 15 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 19 1 0 0 0 0
1 30 1 0 0 0 0
30 31 1 0 0 0 0
26 32 1 0 0 0 0
32 33 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 32 33
M SBL 2 1 35
M SMT 2 CH2OH
M SVB 2 35 -2.2698 -0.4919
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 33
M SMT 1 OCH3
M SVB 1 33 -1.4705 1.3394
S SKP 8
ID FL5FCAGS0004
KNApSAcK_ID C00005274
NAME Rhamnocitrin 5-glucoside
CAS_RN 93091-77-1
FORMULA C22H22O11
EXACTMASS 462.116211546
AVERAGEMASS 462.40348000000006
SMILES c(c23)c(OC)cc(c(C(C(=C(c(c4)ccc(c4)O)O3)O)=O)2)O[C@@H]([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O
M END
