Mol:FL3FALNR0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -1.9362 0.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9362 -0.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3799 -0.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8236 -0.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8236 0.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3799 0.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2673 -0.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2890 -0.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2890 0.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2673 0.4856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2673 -1.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8451 0.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4121 0.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9790 0.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9790 1.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4121 1.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8451 1.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4925 1.3749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3799 -1.4412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4925 0.4856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4121 -0.4964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8451 -0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8344 -1.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3851 -1.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3744 -2.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9452 -1.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3799 1.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9360 1.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9360 2.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4921 2.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3799 2.4120 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 5 1 0 0 0 0 7 11 2 0 0 0 0 9 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 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 18 15 1 0 0 0 0 3 19 1 0 0 0 0 1 20 1 0 0 0 0 13 21 1 0 0 0 0 8 22 1 0 0 0 0 22 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 6 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 S SKP 8 ID FL3FALNR0002 KNApSAcK_ID C00004061 NAME Cyclomulberrin CAS_RN 19275-51-5 FORMULA C25H24O6 EXACTMASS 420.1572885 AVERAGEMASS 420.45446 SMILES C(C)(C)=CC(O4)C(=C1c(c43)ccc(O)c3)C(c(c2O)c(c(c(O)c2)CC=C(C)C)O1)=O M END