Mol:FL1CHYNI0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 31 0 0 0 0 0 0 0 0999 V2000 -2.2362 1.1262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2362 0.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6799 0.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1236 0.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1236 1.1262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6799 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5673 0.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0110 0.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5451 0.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1012 0.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6622 0.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2232 0.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2232 1.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6622 1.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1012 1.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5673 -0.3386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5451 -0.4779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7840 1.4555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7923 0.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7923 -0.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3473 -0.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3473 -1.4391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9022 -0.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7923 1.4473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5675 1.4473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7840 0.1601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7840 -0.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3437 -0.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3437 -1.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9022 -0.4882 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 2 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 1 0 0 0 0 13 18 1 0 0 0 0 2 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 1 24 1 0 0 0 0 5 25 1 0 0 0 0 12 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 S SKP 8 ID FL1CHYNI0004 KNApSAcK_ID C00007007 NAME Glyinflanin A CAS_RN 142542-83-4 FORMULA C25H28O5 EXACTMASS 408.193674006 AVERAGEMASS 408.48682 SMILES C(C(c(c2O)cc(c(c2)O)CC=C(C)C)=O)=C(O)c(c1)ccc(c1CC=C(C)C)O M END