Mol:FL3FALNR0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -1.9499 0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9499 -0.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3936 -0.7822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8373 -0.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8373 0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3936 0.5025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2810 -0.7822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2753 -0.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2753 0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2810 0.5025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2810 -1.2830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8314 0.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3983 0.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9653 0.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9653 1.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3983 1.4845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8314 1.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3936 -1.4243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3936 1.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5060 1.3351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3983 -0.4794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4083 -1.7760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8314 -0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9739 -1.4495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4083 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9497 1.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9497 2.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3936 2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5058 2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5060 0.5024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8207 -1.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6817 2.0606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3962 1.6481 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 7 11 2 0 0 0 0 9 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 3 18 1 0 0 0 0 6 19 1 0 0 0 0 20 15 1 0 0 0 0 13 21 1 0 0 0 0 8 23 1 0 0 0 0 23 21 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 19 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 1 30 1 0 0 0 0 23 31 1 0 0 0 0 31 22 2 0 0 0 0 16 32 1 0 0 0 0 32 33 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 32 33 M SBL 1 1 35 M SMT 1 OCH3 M SBV 1 35 -7.5199 4.7381 S SKP 8 ID FL3FALNR0008 KNApSAcK_ID C00004103 NAME Dihydroisocycloartomunin;3,8,10-Trihydroxy-2-methoxy-11-(3-methyl-2-butenyl)-6-(2-methyl-1-propenyl)-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran-7-one CAS_RN 145643-97-6 FORMULA C26H26O7 EXACTMASS 450.167853186 AVERAGEMASS 450.48043999999993 SMILES O(c43)C(C=C(C)C)C(=C2c(cc(c(c4)O)OC)3)C(c(c(O2)1)c(cc(O)c1CC=C(C)C)O)=O M END