Mol:FL5FADGS0010
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-2.3903 -2.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1189 -2.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4789 -2.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1105 -2.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3820 -1.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0219 -1.7255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4706 -2.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1021 -1.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3736 -1.3113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0136 -1.2553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2589 -2.8736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0053 -0.7853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6469 -0.8424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0224 -0.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7458 0.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0935 0.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2820 -0.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0300 -2.1957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2076 -3.4719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6521 0.7098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5375 -1.9495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0491 1.5547 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.7537 1.0430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.3217 1.2054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8932 1.0430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.1887 1.5547 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.6206 1.3924 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.8550 2.0883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6614 1.8584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6149 1.3086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1069 0.9861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1277 1.9859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 0.7593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 -0.0657 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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
20 15 1 0 0 0 0
8 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
27 29 1 0 0 0 0
26 30 1 0 0 0 0
20 23 1 0 0 0 0
16 31 1 0 0 0 0
31 32 1 0 0 0 0
25 33 1 0 0 0 0
33 34 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 33 34
M SBL 2 1 36
M SMT 2 CH2OH
M SVB 2 36 3.2362 1.0697
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 OCH3
M SVB 1 34 0.2371 1.6874
S SKP 8
ID FL5FADGS0010
KNApSAcK_ID C00005532
NAME Isorhamnetin 4'-glucoside
CAS_RN 58902-89-9
FORMULA C22H22O12
EXACTMASS 478.111126168
AVERAGEMASS 478.40288000000004
SMILES OC(C4O)[C@@H](O[C@H](CO)[C@@H]4O)Oc(c3)c(OC)cc(c3)C(=C1O)Oc(c2)c(c(O)cc2O)C1=O
M END
