Mol:FLICALNI0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 34 0 0 0 0 0 0 0 0999 V2000 -2.3409 0.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3409 0.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7846 0.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2283 0.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2283 0.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7846 1.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 0.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1157 0.3309 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1157 0.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 1.2945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4404 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4404 -0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0352 -1.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6300 -0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6300 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0352 0.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0352 1.0394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2242 -1.0200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8970 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8970 -0.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4519 -0.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4519 -1.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0068 -0.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2242 0.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8184 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4126 0.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0068 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4126 1.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6981 1.5920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1981 2.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2210 -0.1508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5065 -0.5633 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 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 8 11 1 0 0 0 0 11 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 11 1 0 0 0 0 16 17 1 0 0 0 0 14 18 1 0 0 0 0 2 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 15 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 1 29 1 0 0 0 0 29 30 1 0 0 0 0 3 31 1 0 0 0 0 31 32 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 31 32 M SBL 2 1 33 M SMT 2 OCH3 M SVB 2 33 -2.221 -0.1508 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 29 30 M SBL 1 1 31 M SMT 1 OCH3 M SVB 1 31 -2.6981 1.592 S SKP 8 ID FLICALNI0002 KNApSAcK_ID C00010036 NAME 7-O-Methyllicoricidin;Licorisoflavan A;(+)-2',4'-Dihydroxy-5,7-dimethoxy-6,3'-diprenylisoflavan CAS_RN 129314-37-0 FORMULA C27H34O5 EXACTMASS 438.240624198 AVERAGEMASS 438.55586000000005 SMILES C(=CCc(c3OC)c(cc(c31)OCC(c(c2)c(c(c(c2)O)CC=C(C)C)O)C1)OC)(C)C M END