Mol:FL1CA9NP0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 32 0 0 0 0 0 0 0 0999 V2000 3.2672 0.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2672 -0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8235 -0.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3798 -0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3798 0.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8235 0.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1339 -0.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6902 -0.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5778 -0.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0169 -0.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5778 -1.1738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0169 0.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4643 0.7577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0884 0.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0884 -0.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4643 -0.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4643 -1.1566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6410 0.7577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1937 0.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1937 -0.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6410 -0.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1937 1.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8315 0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4685 0.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1056 0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7427 0.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7427 1.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3798 0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5695 0.7577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2840 0.3452 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 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 2 8 1 0 0 0 0 10 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 10 1 0 0 0 0 16 17 1 0 0 0 0 14 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 15 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 12 29 1 0 0 0 0 29 30 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 29 30 M SBL 1 1 31 M SMT 1 OCH3 M SBV 1 31 -4.3436 5.9056 S SKP 8 ID FL1CA9NP0008 KNApSAcK_ID C00007132 NAME Boesenbergin B CAS_RN 93208-46-9 FORMULA C26H28O4 EXACTMASS 404.19875938399997 AVERAGEMASS 404.49812 SMILES C(c(c3)cccc3)=CC(=O)c(c(OC)2)c(c(C=1)c(c2)OC(C1)(C)CCC=C(C)C)O M END