Mol:FL1DQUNI0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 32 0 0 0 0 0 0 0 0999 V2000 -0.9268 -0.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9268 -0.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4620 -1.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0027 -0.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0027 -0.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4620 -0.1900 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4620 -1.7996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8688 0.0416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4671 -1.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9303 -0.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3936 -1.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8568 -0.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3200 -1.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7832 -0.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7832 -0.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3200 -0.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8568 -0.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4671 -1.7980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3090 -0.2377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8013 0.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3912 -1.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8556 -0.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3200 -1.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7832 -0.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3200 -1.7980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6689 0.8919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9310 1.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6691 1.7996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4549 1.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0259 0.3971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5704 1.1999 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 1 0 0 0 0 6 1 1 0 0 0 0 3 7 1 0 0 0 0 5 8 2 0 0 0 0 4 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 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 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 9 18 2 0 0 0 0 1 19 1 0 0 0 0 6 20 1 0 0 0 0 2 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 20 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 6 30 1 0 0 0 0 30 31 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 30 31 M SBL 1 1 31 M SMT 1 OCH3 M SVB 1 31 -0.0259 0.3971 S SKP 8 ID FL1DQUNI0002 KNApSAcK_ID C00007984 NAME Helihumulone CAS_RN 72247-83-7 FORMULA C26H32O5 EXACTMASS 424.224974134 AVERAGEMASS 424.52927999999997 SMILES c(c2)c(ccc2)CCC(C(C(=O)1)=C(O)C(=C(O)C1(CC=C(C)C)OC)CC=C(C)C)=O M END