Mol:FL5FAAGS0018
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -2.9921 0.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9921 -0.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4358 -0.8703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8795 -0.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8795 0.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4358 0.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3232 -0.8703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7669 -0.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7669 0.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3232 0.4144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3232 -1.3712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2108 0.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3562 0.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9231 0.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9231 1.0690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3562 1.3963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2108 1.0690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4358 -1.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5482 0.4143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4900 1.3962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3265 -1.1190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4991 0.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1273 -0.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9280 0.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1273 1.1497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4991 1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6984 0.8149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4687 0.8149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6605 -0.4891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9757 -0.8152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5482 0.0899 0.0000 C 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 3 18 1 0 0 0 0 1 19 1 0 0 0 0 15 20 1 0 0 0 0 21 8 1 0 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 1 0 0 0 27 22 1 1 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 20 26 1 0 0 0 0 S SKP 8 ID FL5FAAGS0018 KNApSAcK_ID C00005153 NAME Kaempferol 4'-rhamnoside CAS_RN 65063-32-3 FORMULA C21H20O10 EXACTMASS 432.10564686 AVERAGEMASS 432.37749999999994 SMILES c(c3)(ccc(OC(O4)C(O)C(O)C(O)C(C)4)c3)C(=C2O)Oc(c1)c(C2=O)c(cc(O)1)O M END