Mol:FL2FBCNP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 32 0 0 0 0 0 0 0 0999 V2000 -1.7409 -0.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 -0.9533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6991 -0.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6991 -0.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 0.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7409 -0.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1782 -0.9533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3426 -0.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3426 -0.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1782 0.2496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8630 0.2493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1782 -1.4772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3974 -0.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9317 0.2493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9317 0.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3974 1.1749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8630 0.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 0.8924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7409 1.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2618 0.2496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2618 0.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4399 1.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8812 0.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5186 0.0587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8812 0.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5186 1.0570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6743 -1.1035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9598 -1.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 3 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 4 1 0 0 0 0 9 11 1 6 0 0 0 7 12 2 0 0 0 0 11 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 11 1 0 0 0 0 5 18 1 0 0 0 0 18 19 2 0 0 0 0 20 6 1 0 0 0 0 19 21 1 0 0 0 0 21 20 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 14 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 15 1 0 0 0 0 2 27 1 0 0 0 0 27 28 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 27 28 M SBL 1 1 31 M SMT 1 OCH3 M SBV 1 31 -8.4049 4.3543 S SKP 8 ID FL2FBCNP0001 KNApSAcK_ID C00008529 NAME Isoglabrachromene CAS_RN 138590-91-7 FORMULA C22H20O6 EXACTMASS 380.125988372 AVERAGEMASS 380.3906 SMILES c(c(OC)2)c(c(c(O3)c2C(=O)CC3c(c5)cc(O4)c(c5)OC4)1)OC(C=C1)(C)C M END