Mol:FL4DRNNI0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 37 40 0 0 0 0 0 0 0 0999 V2000 -4.8239 -0.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1038 0.3013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8327 -0.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1199 -1.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4043 -0.9459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3930 -0.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6912 -1.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9732 -0.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9663 -0.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6730 0.2817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2445 0.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2356 1.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5165 1.4938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1918 1.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1855 0.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5344 -0.1561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7061 -2.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1199 -2.0826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5322 0.3142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7715 1.4095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2161 -1.3986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9663 0.7926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6525 1.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6525 1.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0493 2.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2290 2.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9732 -1.8018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9272 -0.1763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6544 0.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3572 -0.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0237 0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7592 -0.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4352 0.1882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9933 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3572 -1.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9933 -0.9445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5322 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 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 2 1 0 0 0 0 5 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 6 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 4 18 1 0 0 0 0 1 19 1 0 0 0 0 14 20 1 0 0 0 0 8 21 1 0 0 0 0 21 16 1 0 0 0 0 9 22 1 1 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 8 27 1 1 0 0 0 15 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 30 35 1 0 0 0 0 34 36 1 0 0 0 0 34 37 1 0 0 0 0 S SKP 8 ID FL4DRNNI0004 KNApSAcK_ID C00014398 NAME Sanggenol G CAS_RN 202526-52-1 FORMULA C30H34O7 EXACTMASS 506.230453442 AVERAGEMASS 506.58676 SMILES CC(C)=CCC(c34)(C(O)(Oc3c(CC=C(CCC=C(C)C)C)c(O)cc4)2)Oc(c1)c(C(=O)2)c(O)cc1O M END