Mol:FL1CHYNP0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -1.9852 0.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9852 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8726 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8726 0.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.4344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3163 -0.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2400 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7961 -0.8502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3522 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9132 -0.8530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4742 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4742 0.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9132 0.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3522 0.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3163 -1.3517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7961 -1.4910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0351 0.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.4925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 1.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9852 1.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5415 1.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5415 0.4344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9572 1.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0351 0.7918 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 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 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 10 1 0 0 0 0 7 16 2 0 0 0 0 9 17 2 0 0 0 0 13 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 S SKP 8 ID FL1CHYNP0003 KNApSAcK_ID C00007006 NAME Glyinflanin B CAS_RN 142750-23-0 FORMULA C20H18O5 EXACTMASS 338.115423686 AVERAGEMASS 338.35392 SMILES Oc(c1)ccc(C(CC(c(c3)c(O)cc(c23)OC(C=C2)(C)C)=O)=O)c1 M END