Mol:FL3FRNND0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 38 0 0 0 0 0 0 0 0999 V2000 -1.0946 -0.7283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0946 0.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8091 0.5092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8091 -1.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3801 -1.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3343 -0.7283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3343 0.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3801 0.5092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3801 -1.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5235 -0.7283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5235 0.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8091 -1.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0488 -1.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7633 -0.7283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7633 0.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0488 0.5092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4778 0.5092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4778 1.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7633 1.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0488 1.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0479 0.1800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0504 -0.7283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0504 -1.5533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8751 -0.7283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3343 1.7467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0692 1.6756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6598 1.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8091 1.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5235 1.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2380 1.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2380 0.5092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6027 1.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8751 0.9664 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 11 2 0 0 0 0 10 4 2 0 0 0 0 4 1 1 0 0 0 0 1 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 2 1 0 0 0 0 5 9 2 0 0 0 0 11 10 1 0 0 0 0 4 12 1 0 0 0 0 6 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 7 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 20 25 1 0 0 0 0 17 21 1 0 0 0 0 14 22 1 0 0 0 0 22 21 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 18 26 1 0 0 0 0 26 27 1 0 0 0 0 3 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 11 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 S SKP 8 ID FL3FRNND0004 KNApSAcK_ID C00013488 NAME Cycloartomunoxanthone;5a,6-Dihydro-1,8-dihydroxy-3-methoxy-5,5,11,11-tetramethyl-5H,7H,11H-benzofuro[3,4-bc]pyrano[3,2-h]xanthen-7-one CAS_RN 135023-20-0 FORMULA C26H24O7 EXACTMASS 448.152203122 AVERAGEMASS 448.46456 SMILES c(OC)(c16)cc(c(C=23)c(C(C(C)(C)O6)CC(C(=O)c(c5O)c(c(c(c5)4)C=CC(C)(C)O4)O3)2)1)O M END