Mol:FL3F19NF0004
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 31 35 0 0 0 0 0 0 0 0999 V2000 -0.4639 -1.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4639 -0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1784 -0.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1784 -1.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2506 -1.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9650 -1.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9650 -0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2506 -0.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6795 -0.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 -0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1084 -0.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1084 0.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 1.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6795 0.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2506 -2.6901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8928 -1.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8928 -0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3499 0.6165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1704 0.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5059 -0.0509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5709 0.6165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3301 1.3574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9604 1.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5906 1.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2606 2.3354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4924 2.2834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2849 0.1212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2634 1.5377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1084 2.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4769 2.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0554 2.6901 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 17 2 0 0 0 0 16 4 2 0 0 0 0 4 1 1 0 0 0 0 1 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 2 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 10 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 9 1 0 0 0 0 5 15 2 0 0 0 0 17 16 1 0 0 0 0 18 3 1 1 0 0 0 18 19 1 6 0 0 0 19 20 1 0 0 0 0 20 17 1 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 18 1 0 0 0 0 24 28 1 6 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 21 27 2 0 0 0 0 28 30 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 S SKP 8 ID FL3F19NF0004 KNApSAcK_ID C00013464 NAME Glabratephrin;(3R,4R)-rel-(-)-4-(Acetyloxy)-4,5-dihydro-5,5-dimethyl-2'-phenylspiro[furan-3(2H),9'(8'H)-[4H]furo[2,3-h][1]benzopyran]-2,4'-dione CAS_RN 51311-64-9 FORMULA C24H20O7 EXACTMASS 420.120902994 AVERAGEMASS 420.41139999999996 SMILES C(=O)(C=4)c(c1OC(c(c5)cccc5)4)ccc(O3)c1C(C3)(C2=O)C(OC(C)=O)C(C)(C)O2 M END
</pre>