Mol:FL2FA9NR0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 32 0 0 0 0 0 0 0 0999 V2000 -0.6975 0.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1767 -0.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3442 0.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3442 0.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1767 0.9524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6975 0.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8651 -0.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3860 0.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3860 0.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8651 0.9524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9064 0.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8651 -0.7744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4407 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9751 0.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9751 1.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4407 1.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9064 1.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1767 -0.7149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5385 -0.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0175 -0.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4964 -0.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4964 -0.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0175 -1.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5385 -0.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9751 -0.1589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0246 -1.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5851 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0246 -1.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2179 0.9521 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 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 0 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 1 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 21 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 6 29 1 0 0 0 0 S SKP 8 ID FL2FA9NR0001 KNApSAcK_ID C00008403 NAME Linderatone CAS_RN 98155-84-1 FORMULA C25H28O4 EXACTMASS 392.19875938399997 AVERAGEMASS 392.48742 SMILES Oc(c3)c(C(C4C(C)C)C=C(C)CC4)c(O)c(c31)C(=O)CC(c(c2)cccc2)O1 M END