Mol:FLIA1LNP0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 36 0 0 0 0 0 0 0 0999 V2000 -1.8302 1.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8302 0.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2739 0.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7176 0.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7176 1.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2739 1.7191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1613 0.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3950 0.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3950 1.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1613 1.7191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 0.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 -0.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5459 -0.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1407 -0.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1407 0.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5459 0.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1613 -0.2078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3863 0.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3865 1.7191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9428 1.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9428 0.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5738 1.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2980 2.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5459 -1.2825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1407 -1.6259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7355 -0.5957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4988 0.4344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7355 -1.2825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9312 -2.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5738 -1.2825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2366 -0.1829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 -0.5954 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 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 8 11 1 0 0 0 0 11 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 11 1 0 0 0 0 7 17 2 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 1 0 0 0 0 21 18 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 13 24 1 0 0 0 0 24 25 2 0 0 0 0 26 14 1 0 0 0 0 21 27 1 0 0 0 0 25 28 1 0 0 0 0 28 26 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 12 31 1 0 0 0 0 31 32 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 35 M SMT 1 ^OCH3 M SBV 1 35 -6.4593 3.8804 S SKP 8 ID FLIA1LNP0006 KNApSAcK_ID C00009449 NAME Mundulone CAS_RN 481-94-7 FORMULA C26H26O6 EXACTMASS 434.172938564 AVERAGEMASS 434.48103999999995 SMILES c(c52)c(O1)c(cc2C(=O)C(=CO5)c(c3OC)ccc(O4)c3C=CC4(C)C)CC(O)C1(C)C M END