Mol:FLID1CNI0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 32 0 0 0 0 0 0 0 0999 V2000 -2.8958 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8958 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3395 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7832 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7832 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3395 0.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2269 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6706 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6706 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2269 0.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1145 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1145 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4803 -2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0751 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0751 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4803 -0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2252 -1.7770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6693 -2.1203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4519 0.1941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3395 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8956 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8956 1.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4517 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3395 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6693 -0.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2635 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8577 -0.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4519 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8577 -0.0612 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 14 18 1 0 0 0 0 1 19 1 0 0 0 0 6 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 S SKP 8 ID FLID1CNI0004 KNApSAcK_ID C00010014 NAME Erybraedin C;(6aR,11aR)-3,9-Dihydroxy-4,8-diprenylpterocarpan CAS_RN 119269-74-8 FORMULA C25H28O4 EXACTMASS 392.19875938399997 AVERAGEMASS 392.48742 SMILES C(c(c4O)cc(C13)c(c4)OC(c(c(OC3)2)ccc(O)c2CC=C(C)C)1)C=C(C)C M END