Mol:FL1C1LNI0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 31 0 0 0 0 0 0 0 0999 V2000 1.9455 0.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9455 -0.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5018 -0.8076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0581 -0.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0581 0.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5018 0.4771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8123 -0.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3686 -0.7870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2562 -0.7869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3048 -0.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2562 -1.4276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3048 0.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8574 0.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4100 0.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4100 -0.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8574 -0.7723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8574 -1.4103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9626 0.5039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6142 0.4770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9626 -0.7723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5139 -0.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5139 0.1813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0640 -0.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0640 -1.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6142 -0.4540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0640 0.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0640 1.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6130 1.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5151 1.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5018 -1.4497 0.0000 O 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 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 2 8 1 0 0 0 0 10 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 10 1 0 0 0 0 16 17 1 0 0 0 0 14 18 1 0 0 0 0 5 19 1 0 0 0 0 15 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 22 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 3 30 1 0 0 0 0 S SKP 8 ID FL1C1LNI0003 KNApSAcK_ID C00007138 NAME Ammothamnidin CAS_RN 88640-94-2 FORMULA C25H28O5 EXACTMASS 408.193674006 AVERAGEMASS 408.48682 SMILES C(c(c(O)2)c(c(cc2)C(=O)C=Cc(c1)c(O)cc(c1)O)O)C(C(C)=C)CC=C(C)C M END