Mol:FLIDBANI0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -2.3409 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3409 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7846 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2283 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2283 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7846 1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1157 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1157 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4404 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4404 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0352 -0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6300 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6300 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0352 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6703 -0.5279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8970 1.4431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2242 -0.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8970 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8970 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4519 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4519 -1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0068 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2242 0.5017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8184 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4126 0.5017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0068 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4126 1.1878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2210 -0.0020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5065 -0.4145 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 7 17 1 0 0 0 0 12 17 1 0 0 0 0 1 18 1 0 0 0 0 14 19 1 0 0 0 0 2 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 15 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 3 30 1 0 0 0 0 30 31 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 30 31 M SBL 1 1 33 M SMT 1 OCH3 M SBV 1 33 -6.7538 4.4059 S SKP 8 ID FLIDBANI0003 KNApSAcK_ID C00010018 NAME 1-Methoxyficifolinol;3,9-Dihydroxy-1-methoxy-2,8-diprenylpterocarpan CAS_RN 129280-35-9 FORMULA C26H30O5 EXACTMASS 422.20932407 AVERAGEMASS 422.5134 SMILES C(Cc(c4OC)c(O)cc(c41)OCC(c32)C(Oc(cc(O)c(c3)CC=C(C)C)2)1)=C(C)C M END