Mol:FL1CHYNP0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 -2.2343 0.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2343 -0.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6780 -0.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1217 -0.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1217 0.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6780 0.8194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5654 -0.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0091 -0.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5470 -0.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1031 -0.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6641 -0.4681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2251 -0.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2251 0.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6641 0.8275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1031 0.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5654 -0.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5470 -1.1060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7860 0.8274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7860 -0.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7906 0.8194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3469 0.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3469 -0.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7906 -0.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6978 1.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9270 0.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5422 0.8274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3223 -0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3223 0.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7079 0.8466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9270 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 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 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 7 16 2 0 0 0 0 9 17 2 0 0 0 0 13 18 1 0 0 0 0 12 19 1 0 0 0 0 1 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 2 1 0 0 0 0 21 24 1 0 0 0 0 21 25 1 0 0 0 0 15 26 1 0 0 0 0 19 27 2 0 0 0 0 27 28 1 0 0 0 0 28 18 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 S SKP 8 ID FL1CHYNP0005 KNApSAcK_ID C00007009 NAME Glyinflanin D CAS_RN 142750-25-2 FORMULA C25H24O5 EXACTMASS 404.162373878 AVERAGEMASS 404.45506 SMILES C(=C4)c(c3OC4(C)C)cc(c(c3)O)C(CC(=O)c(c2)cc(C=1)c(c2)OC(C1)(C)C)=O M END