Mol:FL4DRNNR0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 42 48 0 0 0 0 0 0 0 0999 V2000 -0.3905 0.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1304 -0.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6512 0.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6512 0.8479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1304 1.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3905 0.8479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1721 -0.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6930 0.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6930 0.8479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1721 1.1486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1721 -0.5783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1304 -0.6552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8972 1.1404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2650 0.0605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6186 0.5471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2650 1.0337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 0.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4614 1.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1078 1.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5097 1.5832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0590 1.2223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7558 1.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7558 -0.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2969 -0.6975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2969 -1.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7493 -1.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8445 -1.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9109 -0.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4412 0.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9715 -0.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9715 -0.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4412 -0.9725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9109 -0.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5566 -0.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1226 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0577 -0.1025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5588 -0.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5588 -0.9705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0577 -1.2598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5566 -0.9705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0590 -1.2592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1707 -1.4411 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 7 11 2 0 0 0 0 2 12 1 0 0 0 0 6 13 1 0 0 0 0 8 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 9 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 16 1 0 0 0 0 18 21 1 0 0 0 0 9 22 1 0 0 0 0 8 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 1 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 28 2 0 0 0 0 30 34 1 6 0 0 0 32 35 1 6 0 0 0 34 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 34 1 0 0 0 0 40 35 1 0 0 0 0 38 41 1 0 0 0 0 32 42 1 0 0 0 0 S SKP 8 ID FL4DRNNR0001 KNApSAcK_ID C00008665 NAME Sanggenon B CAS_RN 81381-67-1 FORMULA C33H30O9 EXACTMASS 570.188982558 AVERAGEMASS 570.5859 SMILES c(c(C(=C6)CC(C7)c(c5)c(OC6(C)7)cc(c5)O)1)(O)cc(O2)c(C(C(O3)(C2(O)c(c4)c3cc(c4)O)CC=C(C)C)=O)c1O M END