Mol:FL4DALNI0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 34 0 0 0 0 0 0 0 0999 V2000 -1.4479 -0.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7278 -0.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4567 -1.2324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7439 -1.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0283 -1.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 -0.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6848 -1.6727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4029 -1.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4097 -0.4412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7030 -0.0228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1315 -0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1404 0.7839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8596 1.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5679 0.7704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5615 -0.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8416 -0.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6699 -2.4975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7588 -2.4780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1548 0.0160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1098 -1.6914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2897 1.1699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7129 0.8217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4213 1.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4063 2.0719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6849 2.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1136 2.4975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1723 0.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9340 1.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6928 0.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6928 0.0710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2897 1.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8416 -1.2155 0.0000 O 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 4 18 1 0 0 0 0 8 20 1 1 0 0 0 1 19 1 0 0 0 0 14 21 1 0 0 0 0 2 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 23 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 16 32 1 0 0 0 0 S SKP 8 ID FL4DALNI0008 KNApSAcK_ID C00014385 NAME Kushenol X;(2R,3R)-3,5,7,2',4'-Pentahydroxy-8-lavandulylflavanone CAS_RN 254886-77-6 FORMULA C25H28O7 EXACTMASS 440.18350325 AVERAGEMASS 440.48562000000004 SMILES C(O)(C2c(c3O)ccc(O)c3)C(c(c1O)c(O2)c(CC(C(C)=C)CC=C(C)C)c(c1)O)=O M END