Mol:FLID2ANS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 22 25 0 0 0 0 0 0 0 0999 V2000 -2.5111 0.8836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2396 0.3014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5997 0.2455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2312 0.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5027 1.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1426 1.4098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5913 0.7157 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2228 1.2418 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4943 1.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1343 1.8801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4168 1.1859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7071 0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3913 0.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7852 1.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4950 1.6887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8108 1.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2959 0.0960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1510 0.9396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7814 0.9791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7776 0.8919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9258 0.0824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1039 0.0105 0.0000 C 0 0 0 0 0 0 0 0 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 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 11 2 0 0 0 0 7 17 1 0 0 0 0 1 2 1 0 0 0 0 18 1 1 0 0 0 0 12 17 1 0 0 0 0 14 19 1 0 0 0 0 19 20 1 0 0 0 0 2 21 1 0 0 0 0 21 22 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 21 22 M SBL 2 1 24 M SMT 2 OCH3 M SVB 2 24 -2.8184 0.423 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 19 20 M SBL 1 1 22 M SMT 1 OCH3 M SVB 1 22 2.1039 -0.8826 S SKP 8 ID FLID2ANS0002 KNApSAcK_ID C00009618 NAME 2-Methoxymedicarpin CAS_RN 56752-00-2 FORMULA C17H16O5 EXACTMASS 300.099773622 AVERAGEMASS 300.30593999999996 SMILES COc(c4)cc(O1)c(c4)C(C3)C1c(c2)c(O3)cc(O)c(OC)2 M END