Mol:FL3FRNNR0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 30 0 0 0 0 0 0 0 0999 V2000 -0.6657 -1.0614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6610 -0.2364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0441 -1.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7632 -1.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7679 -0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0558 0.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3708 0.1801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0899 -0.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0946 -1.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3848 -1.4698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3848 -2.2948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0441 -2.3029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7603 0.1588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4748 -0.2537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3433 -1.6562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1683 -1.6562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7550 -1.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7550 -0.2445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1683 0.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3433 0.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5808 1.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1683 1.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3433 1.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9308 1.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7001 2.3029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3664 -1.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4748 -0.6539 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 2 7 2 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 1 2 0 0 0 0 10 11 1 0 0 0 0 3 12 2 0 0 0 0 8 13 1 0 0 0 0 13 14 1 0 0 0 0 4 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 5 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 20 1 0 0 0 0 22 25 1 0 0 0 0 17 26 1 0 0 0 0 17 27 1 0 0 0 0 S SKP 8 ID FL3FRNNR0007 KNApSAcK_ID C00013503 NAME Cyclointegrin;7,8-Dihydro-3,10-dihydroxy-12-methoxy-6,6-dimethyl-6H,9H-[1]benzopyrano[3,2-e][1]benzoxocin-9-one CAS_RN 60791-48-2 FORMULA C21H20O6 EXACTMASS 368.125988372 AVERAGEMASS 368.37989999999996 SMILES C(O2)(c43)=C(CCC(C)(C)Oc(cc(O)cc4)3)C(=O)c(c21)c(cc(OC)c1)O M END