Mol:FLNAA9NP0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 34 0 0 0 0 0 0 0 0999 V2000 -0.8649 0.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3086 0.8284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2475 0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2475 -0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8242 -0.4916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4010 -0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4010 0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8242 0.8403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8647 -0.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3086 -0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8242 -1.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2713 -1.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2713 -2.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8242 -2.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3771 -2.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3771 -1.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9773 0.8401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3086 -1.1078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3086 1.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8649 1.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4212 0.8284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8649 2.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2475 1.7918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4212 1.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4208 -0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4208 -1.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8647 -1.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3372 -1.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5010 -2.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9773 1.7920 0.0000 C 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 7 1 0 0 0 0 7 8 1 0 0 0 0 8 3 1 0 0 0 0 1 9 1 0 0 0 0 9 10 2 0 0 0 0 10 4 1 0 0 0 0 5 11 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 7 17 2 0 0 0 0 10 18 1 0 0 0 0 2 19 1 0 0 0 0 19 20 1 0 0 0 0 21 1 1 0 0 0 0 20 22 1 0 0 0 0 19 23 1 0 0 0 0 20 24 1 0 0 0 0 9 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 18 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 24 21 1 0 0 0 0 24 30 1 0 0 0 0 S SKP 8 ID FLNAA9NP0003 KNApSAcK_ID C00010214 NAME Inophyllolide chromanol CAS_RN 20307-10-2 FORMULA C25H24O5 EXACTMASS 404.162373878 AVERAGEMASS 404.45506 SMILES O(C(C)5)c(c43)c(C(O)C(C)5)c(O2)c(c3OC(C)(C)C=C4)C(=CC(=O)2)c(c1)cccc1 M END