Mol:FLID1CNI0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 -1.6282 1.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6282 1.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0719 0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5156 1.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5156 1.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0719 2.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0407 0.8677 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5970 1.1889 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5970 1.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0407 2.1524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1531 0.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1531 0.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7479 -0.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3427 0.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3427 0.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7479 1.2112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0424 0.1812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2994 2.2187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1843 0.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1843 0.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7392 -0.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7392 -0.7341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2941 0.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7479 -0.8485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3421 -1.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3421 -1.8763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7491 -2.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9351 -2.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3427 0.1810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3427 0.1810 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 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 13 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 14 29 1 0 0 0 0 29 30 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 29 30 M SBL 1 1 32 M SMT 1 OCH3 M SVB 1 32 2.5796 -0.0253 S SKP 8 ID FLID1CNI0003 KNApSAcK_ID C00010012 NAME Erycristin;(6aR,11aR)-3-Hydroxy-9-methoxy-2,10-diprenylpterocarpan CAS_RN 114416-06-7 FORMULA C26H30O4 EXACTMASS 406.21440944799997 AVERAGEMASS 406.51399999999995 SMILES c(c1)c(C42)c(OC2c(c3)c(OC4)cc(c3CC=C(C)C)O)c(CC=C(C)C)c(OC)1 M END