Mol:FL2FACNI0022
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 33 0 0 0 0 0 0 0 0999 V2000 -1.7582 -1.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0545 -1.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3505 -1.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3505 -0.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0545 0.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7582 -0.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3535 -1.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0575 -1.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0575 -0.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3535 0.1541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7608 0.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3549 -2.2222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4827 -0.2632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2050 0.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2050 0.9876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4827 1.4044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7608 0.9876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0531 -2.2230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9261 1.4037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4812 2.1087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5020 0.1595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0868 1.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3674 0.9817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3503 1.3961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0665 0.9828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3503 2.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7826 1.3961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4971 0.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2116 1.3961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9261 0.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2116 2.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 3 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 4 1 0 9 11 1 0 7 12 2 0 11 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 11 1 0 2 18 1 0 15 19 1 0 16 20 1 0 21 6 1 0 22 23 1 0 23 24 2 0 24 25 1 0 24 26 1 0 25 27 1 0 27 28 1 0 28 29 2 0 29 30 1 0 29 31 1 0 17 22 1 0 S SKP 8 ID FL2FACNI0022 NAME Nymphaeol B CAS_RN 73676-37-6 FORMULA C25H28O6 EXACTMASS AVERAGEMASS SMILES EXACTMASS 424.188588628 AVERAGEMASS 424.48622 SMILES CC(C)=CCCC(C)=CCc(c(O)3)c(ccc(O)3)C(C1)Oc(c2)c(c(O)cc(O)2)C(=O)1 M END