Mol:FL5FAAGI0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 36 39 0 0 0 0 0 0 0 0999 V2000 -2.0434 0.4442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0434 -0.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4871 -0.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9308 -0.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9308 0.4442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4871 0.7654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3745 -0.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1818 -0.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1818 0.4442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3745 0.7654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3745 -1.0202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7379 0.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3049 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8719 0.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8719 1.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3049 1.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7379 1.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4871 -1.1615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7379 -0.5192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4560 1.7388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5503 -1.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1786 -2.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 -1.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1786 -0.7268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5503 -0.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7496 -1.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5200 -1.0616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7117 -2.3656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0270 -2.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5995 -1.7867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5995 0.7653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4871 1.4075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0432 1.7286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0432 2.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5993 2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4871 2.6917 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 8 19 1 0 0 0 0 15 20 1 0 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 1 0 0 0 26 21 1 1 0 0 0 26 27 1 0 0 0 0 21 28 1 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 25 19 1 0 0 0 0 1 31 1 0 0 0 0 6 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 S SKP 8 ID FL5FAAGI0002 KNApSAcK_ID C00005805 NAME Ikarisoside A CAS_RN 55395-07-8 FORMULA C26H28O10 EXACTMASS 500.168247116 AVERAGEMASS 500.49451999999997 SMILES c(c1C(=C3OC(C(O)4)OC(C)C(C(O)4)O)Oc(c2CC=C(C)C)c(C3=O)c(cc(O)2)O)cc(O)cc1 M END