Mol:FL1C1AND0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 -1.7115 -0.4992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0454 -0.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0454 0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7115 1.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3776 0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3776 -0.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6998 0.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6998 -0.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3365 -0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9731 -0.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9731 0.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3365 1.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3219 -0.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3693 -0.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0076 -0.5017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3219 -1.2089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6098 -0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2465 -0.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2465 0.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6098 1.0325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5606 1.2089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7729 0.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7115 -1.1929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1691 0.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6154 0.1794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0997 -0.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1765 0.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0243 1.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7729 0.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4569 0.0178 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 1 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 7 1 0 0 0 0 2 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 13 16 2 0 0 0 0 15 8 1 0 0 0 0 10 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 11 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 1 23 1 0 0 0 0 5 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 6 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 S SKP 8 ID FL1C1AND0002 KNApSAcK_ID C00011145 NAME Paratocarpin F CAS_RN 170662-20-1 FORMULA C25H26O5 EXACTMASS 406.178023942 AVERAGEMASS 406.47094 SMILES C(c(c3)ccc(O4)c3C=CC4(C)C)=CC(c(c2)c(O)c(C1)c(c2)OC1C(C)(C)O)=O M END