Mol:FL1CA9NF0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -1.5507 1.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5507 0.8594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8362 0.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1217 0.8594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1217 1.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8362 2.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5928 0.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5928 -0.3781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3072 0.8594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0217 0.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7362 0.8594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4506 0.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1651 0.8594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1651 1.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4506 2.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7362 1.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8362 -0.3150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5463 2.0701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1266 1.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3353 1.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8202 1.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3353 0.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6048 1.0170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6048 0.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8202 -0.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1651 0.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6048 -0.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4709 -0.6680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4709 -2.0969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8834 -1.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7084 -1.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2563 1.7080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0575 0.1233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 10 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 3 17 1 0 0 0 0 5 18 1 0 0 0 0 18 19 1 0 0 0 0 1 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 2 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 22 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 25 28 1 1 0 0 0 28 30 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 21 32 1 1 0 0 0 22 33 1 1 0 0 0 S SKP 8 ID FL1CA9NF0004 KNApSAcK_ID C00014446 NAME (+)-Tephropurpurin;[(+)-5'',5''-dimethyl-4''alpha-acacetoxytetrahydrofurano(2'',3''-b)-dihydrofurano(4',5'-h)-2'-methoxy-6'-hydroxychalcone] CAS_RN 195609-89-3 FORMULA C24H24O7 EXACTMASS 424.152203122 AVERAGEMASS 424.44316000000003 SMILES O=C(C=Cc(c4)cccc4)c(c(O)1)c(cc(O2)c1C([H])(C(OC(C)=O)3)C([H])2OC(C)(C)3)OC M END