Mol:FL5FCENI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 31 0 0 0 0 0 0 0 0999 V2000 -2.3203 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3203 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7640 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2077 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2077 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7640 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6514 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0951 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0951 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6514 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6514 -1.7853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4610 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0280 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5949 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5949 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0280 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4610 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4847 -1.2697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7640 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7640 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0280 1.6366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3201 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3201 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8762 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7640 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1617 0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8762 0.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6776 0.2978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1777 1.1638 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 8 18 1 0 0 0 0 3 19 1 0 0 0 0 6 20 1 0 0 0 0 16 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 15 26 1 0 0 0 0 26 27 1 0 0 0 0 1 28 1 0 0 0 0 28 29 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 28 29 M SBL 2 1 30 M SMT 2 OCH3 M SVB 2 30 -2.6776 0.2978 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 26 27 M SBL 1 1 28 M SMT 1 OCH3 M SVB 1 28 2.1617 0.9821 S SKP 8 ID FL5FCENI0001 KNApSAcK_ID C00005026 NAME Rhynchospermin CAS_RN 80370-37-2 FORMULA C22H22O7 EXACTMASS 398.136553058 AVERAGEMASS 398.40588 SMILES c(c1)c(OC)c(cc1C(=C3O)Oc(c(CC=C(C)C)2)c(C3=O)c(O)cc(OC)2)O M END