Mol:FL631ANS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 19 21 0 0 0 0 0 0 0 0999 V2000 -1.8191 -0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8191 -0.7514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3011 -1.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7831 -0.7514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7831 -0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3011 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2651 -1.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2529 -0.7514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2529 -0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2651 0.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7709 -1.0504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7709 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2932 -0.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8155 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8155 0.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2932 1.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7709 0.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3371 1.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3371 0.1458 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 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 8 11 1 1 0 0 0 9 12 1 6 0 0 0 12 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 12 1 0 0 0 0 15 18 1 0 0 0 0 1 19 1 0 0 0 0 S SKP 8 ID FL631ANS0001 KNApSAcK_ID C00009357 NAME Guibourtinidol;(2R,3S)-4',7-Dihydroxyflavan-3-ol CAS_RN 251909-54-3 FORMULA C15H14O4 EXACTMASS 258.089208936 AVERAGEMASS 258.26926000000003 SMILES Oc(c3)ccc(c3)C(O1)C(O)Cc(c2)c(cc(O)c2)1 M END