Mol:FL2FCCNF0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -2.0390 0.2782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0204 -0.5257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2433 -0.9109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5884 -0.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5743 0.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2999 0.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1665 -0.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8403 -0.5343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8311 0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1472 0.7153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5456 0.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2366 0.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9480 0.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9685 1.5813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2567 2.0111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5363 1.6109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1665 -1.6770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3194 1.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0339 1.9127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0339 2.7377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3194 3.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7484 3.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8222 0.7303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5893 0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6269 -1.1457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2246 -1.9141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3695 -1.7690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 1.9123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5893 0.3863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5482 -2.4745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2522 -2.4745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1757 -3.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9382 -3.1502 0.0000 O 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 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 9 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 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 1 23 1 0 0 0 0 23 24 1 0 0 0 0 2 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 3 1 0 0 0 0 18 6 1 0 0 0 0 14 28 1 0 0 0 0 13 29 1 0 0 0 0 26 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 S SKP 8 ID FL2FCCNF0001 KNApSAcK_ID C00014214 NAME 3',4'-Dihydroxy-7-methoxy-8-(3-methylbut-2-enyl)-2'''-(1-hydroxy-1-methylethyl)-furano-(4'',5'':6,5)favanone CAS_RN 325149-81-3 FORMULA C26H28O7 EXACTMASS 452.18350325 AVERAGEMASS 452.49631999999997 SMILES O=C(c23)CC(Oc(c(CC=C(C)C)c(OC)c(c4)c3oc(C(C)(C)O)4)2)c(c1)ccc(O)c1O M END