Mol:FL3FRNNF0006
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 38 42 0 0 0 0 0 0 0 0999 V2000 0.0314 -0.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0361 -0.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7412 -1.2889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4604 -0.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4650 -0.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7529 0.3611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 -0.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1819 0.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6737 0.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3928 -0.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3975 -0.8642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6877 -1.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6030 0.3579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6002 1.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8879 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1788 1.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6877 -2.1057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7412 -2.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3147 1.6081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8418 -1.4322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5681 -1.4155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8978 -0.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9806 -2.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2664 -2.5423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6953 -1.7173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3931 -2.8445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1760 0.2202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6647 -0.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1760 -1.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6737 1.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3864 1.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3864 2.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1004 2.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6715 2.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4897 -0.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4897 -1.2679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3147 -0.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4897 0.3821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 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 2 1 0 0 0 0 7 8 1 0 0 0 0 8 5 1 0 0 0 0 2 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 1 2 0 0 0 0 7 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 8 2 0 0 0 0 12 17 1 0 0 0 0 3 18 2 0 0 0 0 14 19 1 0 0 0 0 4 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 7 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 10 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 11 1 0 0 0 0 9 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 28 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 38 1 0 0 0 0 S SKP 8 ID FL3FRNNF0006 KNApSAcK_ID C00013498 NAME Carpelastofuran;6,7,10,11-Tetrahydro-3,9-dihydroxy-6,11-bis(1-hydroxy-1-methylethyl)-13-(3-methyl-2-butenyl)-8H-furo[3',2':6,7][1]benzopyrano[3,2-d][1]benzoxepin-8-one CAS_RN 404889-57-2 FORMULA C30H34O8 EXACTMASS 522.225368064 AVERAGEMASS 522.5861600000001 SMILES Oc(c52)c(C1)c(c(CC=C(C)C)c2OC(=C(C(=O)5)3)c(c4)c(cc(O)c4)OC(C(C)(C)O)C3)OC(C(C)(C)O)1 M END
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