Mol:FL3FRNNR0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 37 40 0 0 0 0 0 0 0 0999 V2000 0.0115 -0.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0162 -0.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7213 -1.2889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4404 -0.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4451 -0.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7330 0.3611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8740 -0.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1619 0.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6936 0.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4127 -0.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4174 -0.8642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7076 -1.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5831 0.3579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5803 1.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8679 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1589 1.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7076 -2.1057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7213 -2.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2947 1.6081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8219 -1.4322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5481 -1.4155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8779 -0.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9606 -2.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2464 -2.5423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6754 -1.7173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3731 -2.8445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6936 1.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4063 1.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4063 2.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1203 2.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6914 2.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1513 -1.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8658 -0.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5803 -1.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2947 -0.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5803 -2.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0831 0.3478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 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 2 1 0 0 0 0 7 8 1 0 0 0 0 8 5 1 0 0 0 0 2 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 1 2 0 0 0 0 7 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 8 2 0 0 0 0 12 17 1 0 0 0 0 3 18 2 0 0 0 0 14 19 1 0 0 0 0 4 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 7 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 9 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 11 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 10 37 1 0 0 0 0 S SKP 8 ID FL3FRNNR0005 KNApSAcK_ID C00013501 NAME Artelastocarpin;6,7-Dihydro-3,9,11-trihydroxy-6-(1-hydroxy-1-methylethyl)-10,12-bis(3-methyl-2-butenyl)-8H-[1]benzopyrano[3,2-d][1]benzoxepin-8-one CAS_RN 404956-32-7 FORMULA C30H34O7 EXACTMASS 506.230453442 AVERAGEMASS 506.58676 SMILES c(c4)c(cc(c41)OC(C(C)(C)O)CC(C3=O)=C1Oc(c23)c(CC=C(C)C)c(O)c(c(O)2)CC=C(C)C)O M END