Mol:FL631CNC0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 35 0 0 0 0 0 0 0 0999 V2000 -1.4428 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9936 0.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9936 0.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8920 0.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8920 0.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3411 -0.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2097 0.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2097 0.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3411 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8423 1.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4096 0.8371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9770 1.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9769 1.8197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4096 2.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8423 1.8197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5438 0.9996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4428 -0.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5438 2.1470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3547 -0.8722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4096 2.8017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9120 -1.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9120 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3547 -2.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2026 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2026 -1.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4684 -0.8728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7694 -0.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3547 -2.8017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7598 -0.2717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3281 -1.2076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4693 -2.1593 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 4 5 2 0 0 0 0 5 1 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 5 1 0 0 0 0 8 10 1 6 0 0 0 10 11 2 0 0 0 0 11 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 10 1 0 0 0 0 2 16 1 0 0 0 0 3 17 2 0 0 0 0 17 4 1 0 0 0 0 13 18 1 0 0 0 0 6 19 1 1 0 0 0 14 20 1 0 0 0 0 19 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 19 1 0 0 0 0 21 26 1 0 0 0 0 25 27 1 0 0 0 0 23 28 1 0 0 0 0 7 29 1 1 0 0 0 27 29 1 0 0 0 0 27 30 2 0 0 0 0 22 31 1 0 0 0 0 S SKP 8 ID FL631CNC0001 KNApSAcK_ID C00009322 NAME 6-(3,4-Dihydroxyphenyl)-6a,12b-dihydro-3,10,11,12-tetrahydroxy-[2]benzopyrano[3,4-c]benzopyran-8(6H)-one CAS_RN 126655-06-9 FORMULA C22H16O9 EXACTMASS 424.07943210999997 AVERAGEMASS 424.35704000000004 SMILES c(c1O)(C24)c(C(=O)OC(C(c(c5)cc(c(O)c5)O)Oc(c43)cc(O)cc3)2)cc(O)c1O M END