Mol:FL5FAANN0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -2.9121 0.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9121 -0.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3558 -0.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7995 -0.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7995 0.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3558 0.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2432 -0.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6869 -0.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6869 0.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2432 0.4799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2432 -1.3056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0135 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5805 0.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1475 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1475 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5805 1.5856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0135 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5766 0.5424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5808 1.6573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3558 -1.3675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1030 -0.8725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4223 -1.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4223 -1.6573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9730 -0.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5231 -1.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0721 -0.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5737 -1.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0753 -0.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0753 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5737 0.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0721 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5766 0.0101 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 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 4 3 1 0 0 0 0 1 18 1 0 0 0 0 15 19 1 0 0 0 0 20 3 1 0 0 0 0 8 21 1 0 0 0 0 22 21 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 26 1 0 0 0 0 29 32 1 0 0 0 0 S SKP 8 ID FL5FAANN0002 KNApSAcK_ID C00006061 NAME Kaempferol 3-p-coumarate CAS_RN 41496-40-6 FORMULA C24H16O8 EXACTMASS 432.08451748799996 AVERAGEMASS 432.37904000000003 SMILES c(c12)(OC(c(c4)ccc(c4)O)=C(OC(C=Cc(c3)ccc(O)c3)=O)C2=O)cc(cc(O)1)O M END