Mol:FL2FALNI0024
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 34 0 0 0 0 0 0 0 0999 V2000 -1.5827 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0618 -1.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5409 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5409 -0.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0618 -0.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5827 -0.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 -1.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5009 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5009 -0.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 -0.6464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0212 -0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 -2.3733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5556 -0.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0900 -0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0900 -0.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5556 0.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0212 -0.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0618 -2.4502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0618 0.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5827 0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1036 0.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5770 0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5827 1.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1030 1.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1030 2.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6234 2.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5827 2.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1036 -0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1030 -0.6467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4878 0.2783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5556 -1.5713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6234 0.2783 0.0000 O 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 21 22 2 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 21 28 1 0 0 0 0 6 29 1 0 0 0 0 17 30 1 0 0 0 0 13 31 1 0 0 0 0 15 32 1 0 0 0 0 S SKP 8 ID FL2FALNI0024 KNApSAcK_ID C00008536 NAME Exiguaflavanone G CAS_RN 156281-17-3 FORMULA C25H28O7 EXACTMASS 440.18350325 AVERAGEMASS 440.48562000000004 SMILES CC(=C)C(CC=C(C)C)Cc(c1O)c(O2)c(C(=O)CC(c(c3O)c(cc(c3)O)O)2)c(c1)O M END