Mol:FLIABCNF0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 29 0 0 0 0 0 0 0 0999 V2000 -2.2752 0.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2752 -0.1539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7189 -0.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1626 -0.1539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1626 0.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7189 0.8097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6063 -0.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -0.1539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 0.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6063 0.8097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5061 -0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5061 -1.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1009 -1.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6957 -1.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6957 -0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1009 -0.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6063 -1.1172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3489 -1.3740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7526 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3489 -0.2627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8524 1.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4913 1.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7526 0.9183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1553 -0.6356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4408 -1.0481 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 2 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 1 2 1 0 0 0 0 7 17 2 0 0 0 0 14 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 15 1 0 0 0 0 6 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 1 1 0 0 0 0 3 24 1 0 0 0 0 24 25 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 24 25 M SBL 1 1 28 M SMT 1 OCH3 M SBV 1 28 -5.6981 4.9480 S SKP 8 ID FLIABCNF0002 KNApSAcK_ID C00009909 NAME Garhwalin CAS_RN 113023-68-0 FORMULA C19H12O6 EXACTMASS 336.063388116 AVERAGEMASS 336.29498 SMILES c(c51)(OCO5)ccc(C(C2=O)=COc(c34)c(c(OC)cc3occ4)2)c1 M END