Mol:FL2FA8NI0004
From Metabolomics.JP
<pre> 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 3 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 3 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 -2.9696 0.8470 0.0000 C 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 2.6234 -0.9547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4488 -0.4473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3148 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 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 17 29 1 0 0 0 0 14 30 1 0 0 0 0 6 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 33 M SMT 1 OCH3 M SVB 1 33 -1.9399 -0.3284 S SKP 8 ID FL2FA8NI0004 KNApSAcK_ID C00008534 NAME Exiguaflavanone F CAS_RN 149725-19-9 FORMULA C26H30O6 EXACTMASS 438.204238692 AVERAGEMASS 438.51279999999997 SMILES C(C)(=C)C(Cc(c31)c(OC)cc(O)c1C(=O)CC(O3)c(c(O)2)cc(O)cc2)CC=C(C)C M END
</pre>