Mol:FL1C1ANI0017
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 31 0 0 0 0 0 0 0 0999 V2000 3.0556 0.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0556 -0.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6119 -0.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1682 -0.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1682 0.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6119 0.9184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9224 -0.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4787 -0.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3663 -0.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8054 -0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3663 -0.9864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8054 0.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2527 0.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2999 0.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2999 -0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2527 -0.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2527 -0.9691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9265 0.9864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7243 0.9182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8602 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4128 0.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9653 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5178 0.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0703 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6229 0.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1742 -0.3013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9653 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7243 0.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1742 -0.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6229 0.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 2 8 1 0 0 0 0 10 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 10 1 0 0 0 0 16 17 1 0 0 0 0 14 18 1 0 0 0 0 5 19 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 22 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 2 0 0 0 0 15 20 1 0 0 0 0 25 30 1 0 0 0 0 S SKP 8 ID FL1C1ANI0017 KNApSAcK_ID C00007125 NAME Xanthoangelol B CAS_RN 132998-81-3 FORMULA C25H28O5 EXACTMASS 408.193674006 AVERAGEMASS 408.48682 SMILES C(=O)(C=Cc(c2)ccc(O)c2)c(c(O)1)ccc(O)c1CC=C(C)CCC(O)C(C)=C M END