Mol:FL3FALNI0010
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 37 39 0 0 0 0 0 0 0 0999 V2000 -1.3939 -1.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3939 -1.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8376 -2.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2813 -1.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2813 -1.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8376 -0.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 -2.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8313 -1.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8313 -1.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 -0.9618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 -2.7474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3874 -0.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9543 -1.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5213 -0.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5213 -0.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9543 0.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3874 -0.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8376 -2.8887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8376 -0.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0620 -0.1293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3937 0.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3937 0.6437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8376 0.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8205 0.0200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9498 0.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9498 1.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5059 1.9280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5059 2.5701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9498 2.8912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0620 2.8912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3874 -2.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9435 -1.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4956 -2.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4901 -2.8912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0532 -1.9348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7512 -0.6642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2512 0.2018 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 3 18 1 0 0 0 0 6 19 1 0 0 0 0 20 15 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 17 24 1 0 0 0 0 22 25 1 0 0 0 0 25 26 1 0 0 0 0 26 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 8 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 1 36 1 0 0 0 0 36 37 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 36 37 M SBL 1 1 38 M SMT 1 OCH3 M SVB 1 38 -1.7512 -0.6642 S SKP 8 ID FL3FALNI0010 KNApSAcK_ID C00004033 NAME Brosimone H CAS_RN 123064-85-7 FORMULA C31H36O6 EXACTMASS 504.251188884 AVERAGEMASS 504.61394 SMILES c(c12)(cc(c(c(OC(c(c3O)ccc(c3)O)=C(CC=C(C)C)C2=O)1)CC=C(C)CCC=C(C)C)OC)O M END