Mol:FL4DA8NP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -1.4562 -0.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7361 0.1025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4650 -1.1267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7522 -1.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0366 -1.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0253 -0.3198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6765 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3946 -1.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4014 -0.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6947 0.0829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1232 0.0639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1321 0.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8512 1.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5595 0.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5532 0.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8333 -0.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6616 -2.3919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1014 -1.5857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8333 -1.1277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7522 -2.2815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7361 0.9202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4669 1.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4669 2.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8936 2.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0168 2.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1645 0.1154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8817 -0.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8817 -1.1267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1645 -1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3858 0.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5595 -0.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 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 2 1 0 0 0 0 5 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 6 1 0 0 0 0 9 11 1 6 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 7 17 2 0 0 0 0 8 18 1 1 0 0 0 16 19 1 0 0 0 0 4 20 1 0 0 0 0 2 21 1 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 23 25 1 0 0 0 0 1 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 3 1 0 0 0 0 27 30 1 0 0 0 0 27 31 1 0 0 0 0 S SKP 8 ID FL4DA8NP0001 KNApSAcK_ID C00014394 NAME Jayacanol;(3R)-3-Hydroxyminimiflorin;3,5,2'-Trihydroxy-8-prenyl-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone CAS_RN 259812-81-2 FORMULA C25H26O6 EXACTMASS 422.172938564 AVERAGEMASS 422.47033999999996 SMILES c(c1)ccc(C(O2)C(C(=O)c(c(O)3)c(c(CC=C(C)C)c(O4)c3C=CC4(C)C)2)O)c1O M END