Mol:FL4DAANC0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 -2.7987 -1.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1979 -0.6743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1979 0.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7987 0.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3996 0.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3996 -0.6743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5640 -1.0403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9301 -0.6743 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9301 0.0577 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5640 0.4236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2742 0.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3715 0.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0172 0.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0172 1.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3715 1.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2742 1.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7223 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3360 -0.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9498 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9498 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3360 0.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7223 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3196 -0.8742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4173 0.3370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4173 0.8809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5640 -1.5492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7987 -1.5338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9174 0.3185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5117 1.4619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3978 -0.9816 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 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 3 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 9 11 1 6 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 17 1 0 0 0 0 13 22 1 0 0 0 0 17 23 1 0 0 0 0 20 24 1 0 0 0 0 8 30 1 1 0 0 0 24 25 2 0 0 0 0 7 26 2 0 0 0 0 1 27 1 0 0 0 0 5 28 1 0 0 0 0 14 29 1 0 0 0 0 S SKP 8 ID FL4DAANC0001 KNApSAcK_ID C00008656 NAME 3,5,7,4'-Tetrahydroxy-3'-(5''-formyl-2''-hydroxyphenyl)flavanone CAS_RN 144224-04-4 FORMULA C22H16O8 EXACTMASS 408.08451748799996 AVERAGEMASS 408.35764000000006 SMILES c(O)(c3c(c(O)4)cc(cc4)C=O)ccc(c3)[C@H]([C@H]1O)Oc(c2)c(c(O)cc2O)C1=O M END