Mol:FL1DQUNP0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 30 32 0 0 0 0 0 0 0 0999 V2000 -1.1104 -0.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1104 -0.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6457 -1.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1810 -0.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1810 -0.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6457 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6457 -1.7996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2835 -0.1902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2835 -1.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7467 -0.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2099 -1.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6731 -0.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1363 -1.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5995 -0.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5995 -0.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1363 -0.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6731 -0.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2835 -1.7980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4927 -0.2377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3669 0.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9850 0.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5749 -1.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0393 -0.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8526 0.8919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1147 1.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8528 1.7996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6386 1.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0393 -0.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3082 0.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5995 -0.6089 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 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 S SKP 8 ID FL1DQUNP0001 KNApSAcK_ID C00007985 NAME Grenoblone CAS_RN 104021-41-2 FORMULA C26H30O4 EXACTMASS 406.21440944799997 AVERAGEMASS 406.51399999999995 SMILES C(C2=1)(CC=C(C)C)(C(C(C(CCc(c3)cccc3)=O)=C(O)C1C=CC(C)(C)O2)=O)C M END
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