Mol:FL2FADNI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 30 0 0 0 0 0 0 0 0999 V2000 -2.5417 -0.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5417 -0.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0413 -1.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5408 -0.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5408 -0.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0413 0.1409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0404 -1.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5399 -0.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5399 -0.1480 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0404 0.1409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0398 0.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4746 -0.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9889 0.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9889 0.7347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4746 1.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0398 0.7347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5399 0.5326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0413 -1.5923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0418 0.1408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8833 -1.3514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8549 1.2347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5021 -0.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0154 0.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5286 -0.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0418 0.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5286 -0.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7312 1.5923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1473 2.5016 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 4 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 5 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 9 17 1 1 0 0 0 3 18 1 0 0 0 0 1 19 1 0 0 0 0 7 20 2 0 0 0 0 14 21 1 0 0 0 0 13 22 1 0 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 15 27 1 0 0 0 0 27 28 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 27 28 M SBL 1 1 29 M SMT 1 OCH3 M SVB 1 29 0.7312 1.5923 S SKP 8 ID FL2FADNI0001 KNApSAcK_ID C00000996 NAME 5'-Prenylhomoeriodictyol;Abyssinin II;Abyssinoflavanone II CAS_RN 671781-82-1 FORMULA C21H22O6 EXACTMASS 370.141638436 AVERAGEMASS 370.39578 SMILES C(=O)(c23)C[C@](Oc(cc(cc(O)3)O)2)(c(c1)cc(c(O)c(OC)1)CC=C(C)C)[H] M END