Mol:FL1C1LNP0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 31 0 0 0 0 0 0 0 0999 V2000 1.4644 0.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4644 -0.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0207 -0.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5771 -0.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5771 0.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0207 0.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2075 -0.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7638 -0.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3486 -0.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9096 -0.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3486 -1.2492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9096 0.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4622 0.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0148 0.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0148 -0.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4622 -0.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4622 -1.2319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5675 0.6824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1201 0.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1201 -0.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5675 -0.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3069 1.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8476 0.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5843 -0.7691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2988 -1.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4431 0.8550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4431 0.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2988 1.2492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7354 2.1488 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 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 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 15 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 3 24 1 0 0 0 0 24 25 1 0 0 0 0 5 26 1 0 0 0 0 26 27 1 0 0 0 0 6 28 1 0 0 0 0 28 29 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 28 29 M SBL 3 1 30 M SMT 3 OCH3 M SVB 3 30 2.2988 1.2492 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 26 27 M SBL 2 1 28 M SMT 2 OCH3 M SVB 2 28 3.1331 0.676 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 24 25 M SBL 1 1 26 M SMT 1 OCH3 M SVB 1 26 1.5843 -0.7691 S SKP 8 ID FL1C1LNP0002 KNApSAcK_ID C00007109 NAME Glabrachalcone CAS_RN 87457-88-3 FORMULA C23H24O6 EXACTMASS 396.1572885 AVERAGEMASS 396.43306 SMILES C(C(c(c(O)3)ccc(c32)OC(C=C2)(C)C)=O)=Cc(c(OC)1)cc(OC)c(OC)c1 M END