Mol:FL1DQUNP0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 33 0 0 0 0 0 0 0 0999 V2000 -1.3421 -0.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3421 -0.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8773 -1.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4126 -0.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4126 -0.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8773 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8773 -1.7996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0518 -0.1902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0518 -1.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5151 -0.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9783 -1.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4415 -0.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9047 -1.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3679 -0.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3679 -0.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9047 -0.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4415 -0.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0518 -1.7980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7243 -0.2377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5985 0.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2166 0.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8065 -1.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2709 -0.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0842 0.8919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3463 1.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0844 1.7996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8702 1.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2709 -0.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5398 0.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8311 -0.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8311 -0.1934 0.0000 O 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 6 21 1 0 0 0 0 2 22 1 0 0 0 0 22 23 2 0 0 0 0 21 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 19 28 1 0 0 0 0 28 23 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 15 31 1 0 0 0 0 S SKP 8 ID FL1DQUNP0002 KNApSAcK_ID C00007986 NAME 4-Hydroxyglenoblone CAS_RN 104406-78-2 FORMULA C26H30O5 EXACTMASS 422.20932407 AVERAGEMASS 422.5134 SMILES C(C2=1)(CC=C(C)C)(C(C(C(CCc(c3)ccc(O)c3)=O)=C(O)C1C=CC(C)(C)O2)=O)C M END