Mol:FLID1ANI0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 32 0 0 0 0 0 0 0 0999 V2000 -2.5901 2.9252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5901 2.2828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0338 1.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4775 2.2828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4775 2.9252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0338 3.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9212 1.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3649 2.2828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3649 2.9252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9212 3.2464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1912 1.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1912 1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7860 0.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3808 1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3808 1.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7860 2.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9154 1.2752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1464 3.2464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 0.9319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7860 0.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3790 -0.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3790 -0.7803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7872 -1.1220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9708 -1.1220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9616 -1.8789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5546 -2.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5546 -2.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9628 -3.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1464 -3.2464 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 12 17 1 0 0 0 0 1 18 1 0 0 0 0 14 19 1 0 0 0 0 13 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 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 24 25 1 0 0 0 0 S SKP 8 ID FLID1ANI0007 KNApSAcK_ID C00009667 NAME Lespedezin;10-Geranyl-3,9-dihydroxypterocarpan CAS_RN 51581-03-4 FORMULA C25H28O4 EXACTMASS 392.19875938399997 AVERAGEMASS 392.48742 SMILES Oc(c4)c(c(O1)c(c4)C(C2)C(c(c3)c(cc(O)c3)O2)1)CC=C(C)CCC=C(C)C M END