Mol:FL2FACNM0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 23 25 0 0 0 0 0 0 0 0999 V2000 -1.9991 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9991 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4428 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8865 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8865 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4428 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3302 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2261 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2261 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3302 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7822 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3491 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9161 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9161 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3491 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7822 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3302 -1.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4428 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5554 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3491 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5554 1.1689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5552 -1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4428 0.7873 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 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 7 17 2 0 0 0 0 3 18 1 0 0 0 0 19 1 1 0 0 0 0 15 20 1 0 0 0 0 21 14 1 0 0 0 0 2 22 1 0 0 0 0 6 23 1 0 0 0 0 S SKP 8 ID FL2FACNM0001 KNApSAcK_ID C00008352 NAME Cyrtominetin CAS_RN 95272-99-4 FORMULA C17H16O6 EXACTMASS 316.094688244 AVERAGEMASS 316.30534 SMILES Oc(c3)c(O)cc(c3)C(C2)Oc(c(C)1)c(C(=O)2)c(O)c(C)c(O)1 M END