Mol:FL2FA9NI0020
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -1.5761 -0.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0552 -1.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5344 -0.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5344 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0552 -0.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5761 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0135 -1.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5074 -0.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5074 -0.3212 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0135 -0.0205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0278 -0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0135 -1.7473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5621 -0.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0965 -0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0965 0.5963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5621 0.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0278 0.5963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0552 -1.8243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0552 0.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5761 0.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5761 1.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0965 1.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0558 1.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9334 0.2975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4335 1.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 3 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 4 1 0 0 0 0 9 11 1 6 0 0 0 7 12 2 0 0 0 0 11 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 11 1 0 0 0 0 2 18 1 0 0 0 0 5 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 6 24 1 0 0 0 0 24 25 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 24 25 M SBL 1 1 26 M SMT 1 OCH3 M SVB 1 26 -1.9334 0.2975 S SKP 8 ID FL2FA9NI0020 KNApSAcK_ID C00008528 NAME Tephroleocarpin B CAS_RN 138590-94-0 FORMULA C21H20O4 EXACTMASS 336.136159128 AVERAGEMASS 336.38109999999995 SMILES COc(c3)c(C=CC(C)=C)c(c(c(O)3)2)O[C@@H](CC(=O)2)c(c1)cccc1 M END