Mol:FL2FALNI0023
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 36 0 0 0 0 0 0 0 0999 V2000 -1.7613 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2404 -1.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7195 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7195 -0.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2404 -0.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7613 -0.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1986 -1.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3222 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3222 -0.9472 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1986 -0.6464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8426 -0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1986 -2.3733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3770 -0.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9113 -0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9113 -0.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3770 0.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8426 -0.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2404 -2.4502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2404 0.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7613 0.6476 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2822 0.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4457 0.2788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7556 0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7613 1.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2817 1.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2817 2.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8020 2.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7613 2.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1482 0.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3091 0.2783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7773 -1.1467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6434 -1.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6274 -0.4473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4934 0.0527 0.0000 C 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 3 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 4 1 0 0 0 0 9 11 1 0 0 0 0 7 12 2 0 0 0 0 11 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 11 1 0 0 0 0 2 18 1 0 0 0 0 5 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 15 22 1 0 0 0 0 21 23 2 0 0 0 0 20 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 21 29 1 0 0 0 0 17 30 1 0 0 0 0 14 31 1 0 0 0 0 31 32 1 0 0 0 0 6 33 1 0 0 0 0 33 34 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 33 34 M SBL 2 1 35 M SMT 2 OCH3 M SVB 2 35 -2.1185 -0.3284 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 33 M SMT 1 OCH3 M SVB 1 33 2.0876 -0.853 S SKP 8 ID FL2FALNI0023 KNApSAcK_ID C00008533 NAME Exiguaflavanone E CAS_RN 149725-18-8 FORMULA C27H32O7 EXACTMASS 468.214803378 AVERAGEMASS 468.53878 SMILES C(C3=O)C(Oc(c32)c(CC(C(C)=C)CC=C(C)C)c(cc(O)2)OC)c(c1O)cc(c(O)c1)OC M END