Mol:FL3FF8NS0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 26 0 0 0 0 0 0 0 0999 V2000 -2.0624 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0624 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5061 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9498 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9498 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5061 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3935 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1628 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1628 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3935 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3935 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7189 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2859 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8528 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8528 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2859 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7189 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5061 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1521 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4197 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2281 1.0455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7916 1.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4197 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9198 1.6360 0.0000 C 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 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 7 11 2 0 0 0 0 9 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 17 2 0 0 0 0 17 12 1 0 0 0 0 3 18 1 0 0 0 0 17 19 1 0 0 0 0 14 20 1 0 0 0 0 6 21 1 0 0 0 0 21 22 1 0 0 0 0 1 23 1 0 0 0 0 23 24 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 23 24 M SBL 2 1 25 M SMT 2 OCH3 M SVB 2 25 -2.4197 0.77 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 21 22 M SBL 1 1 23 M SMT 1 OCH3 M SVB 1 23 -1.2281 1.0455 S SKP 8 ID FL3FF8NS0007 KNApSAcK_ID C00003901 NAME Rehderianin I CAS_RN 90965-30-3 FORMULA C17H14O7 EXACTMASS 330.073952802 AVERAGEMASS 330.28886 SMILES COc(c3)c(OC)c(O1)c(c(O)3)C(=O)C=C1c(c2)c(O)ccc(O)2 M END