Mol:FL3FALNR0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -1.3054 0.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3054 -0.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7491 -0.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1928 -0.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1928 0.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7491 0.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3635 -0.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9198 -0.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9198 0.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3635 0.9541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3635 -0.8315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4759 0.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0428 0.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6098 0.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6098 1.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0428 1.9360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4759 1.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8615 0.9539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7491 -0.9728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8615 -0.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4176 -0.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9725 -0.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5274 -0.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9725 -0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4761 -0.3307 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0324 -0.0095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4761 -0.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0322 -1.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0322 -1.9360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5883 -0.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5274 1.3371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 1.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 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 17 2 0 0 0 0 17 12 1 0 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 2 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 8 25 1 0 0 0 0 25 26 1 0 0 0 0 26 13 1 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 15 31 1 0 0 0 0 31 32 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 34 M SMT 1 OCH3 M SVB 1 34 3.5274 1.3371 S SKP 8 ID FL3FALNR0006 KNApSAcK_ID C00004101 NAME Cycloartocarpin A CAS_RN 156127-37-6 FORMULA C26H26O6 EXACTMASS 434.172938564 AVERAGEMASS 434.48103999999995 SMILES c(c1)(O4)c(C(=O)C(=C34)C(C=C(C)C)Oc(c23)cc(OC)cc2)c(c(c1O)C=CC(C)C)O M END