Mol:FL5FFANS0020
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 30 0 0 0 0 0 0 0 0999 V2000 -1.5449 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5449 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9886 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4323 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4323 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9886 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1240 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6803 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6803 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1240 0.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1240 -1.6148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2364 0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8033 -0.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3703 0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3703 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8033 1.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2364 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2364 -1.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9886 -1.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9886 0.8129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5339 1.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0024 0.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5339 1.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9371 1.1526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4703 1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9371 0.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0922 -0.6097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2658 0.3751 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 8 18 1 0 0 0 0 3 19 1 0 0 0 0 6 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 15 24 1 0 0 0 0 22 25 1 0 0 0 0 25 26 1 0 0 0 0 1 27 1 0 0 0 0 27 28 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 27 28 M SBL 1 1 29 M SMT 1 OCH3 M SVB 1 29 -1.9022 0.4683 S SKP 8 ID FL5FFANS0020 KNApSAcK_ID C00004925 NAME Pollenitin 8-butyrate CAS_RN 69306-83-8 FORMULA C20H18O8 EXACTMASS 386.100167552 AVERAGEMASS 386.35212 SMILES c(c3)(ccc(O)c3)C(O1)=C(C(c(c(O)2)c1c(c(c2)OC)OC(=O)CCC)=O)O M END