Mol:FLIDHXNF0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 30 0 0 0 0 0 0 0 0999 V2000 -1.3005 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3005 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7442 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1879 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1879 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7442 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3684 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9247 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9247 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3684 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4808 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4808 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0756 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6704 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6704 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0756 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3743 -0.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2652 -1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5436 0.5512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9114 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2890 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9114 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7409 0.9669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7920 0.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2652 0.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6106 -0.4523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 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 0 0 0 0 11 12 1 0 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 11 2 0 0 0 0 7 17 1 0 0 0 0 1 2 1 0 0 0 0 12 17 1 0 0 0 0 14 18 1 0 0 0 0 8 19 1 0 0 0 0 1 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 2 1 0 0 0 0 21 23 1 6 0 0 0 21 24 1 1 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 S SKP 8 ID FLIDHXNF0003 KNApSAcK_ID C00009685 NAME Glyceollin III CAS_RN 61080-23-7 FORMULA C20H18O5 EXACTMASS 338.115423686 AVERAGEMASS 338.35392 SMILES C(C(O)53)Oc(c2C3Oc(c54)cc(O)cc4)cc(c(c2)1)OC(C(C)=C)([H])C1 M END