Mol:FL5FAANP0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 29 0 0 0 0 0 0 0 0999 V2000 -1.6601 0.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6601 -0.5718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1038 -0.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5475 -0.5718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5475 0.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1038 0.3918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0088 -0.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5651 -0.5718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5651 0.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0088 0.3918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0088 -1.3938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1212 0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6882 0.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2552 0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2552 1.0464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6882 1.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1212 1.0464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1212 -0.8928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1038 -1.5351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1038 1.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6601 1.3553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2164 1.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2164 0.3918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5056 1.5351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8220 0.8719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8220 1.3736 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 6 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 1 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 15 26 1 0 0 0 0 S SKP 8 ID FL5FAANP0002 KNApSAcK_ID C00005077 NAME Citrusinol CAS_RN 112516-43-5 FORMULA C20H16O6 EXACTMASS 352.094688244 AVERAGEMASS 352.33744 SMILES c(c4)c(ccc(O)4)C(O1)=C(C(c(c(O)2)c1c(C=3)c(OC(C3)(C)C)c2)=O)O M END