Mol:FLIFHXNP0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 36 0 0 0 0 0 0 0 0999 V2000 -2.8269 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2065 -0.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7522 -0.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9185 0.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5389 0.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9931 0.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4643 1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6305 1.6812 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2509 1.8474 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7052 1.3932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1764 2.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5130 1.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0274 2.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2052 3.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8686 3.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3542 2.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4172 2.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8440 0.8945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9514 2.9653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0144 1.5161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6137 0.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0678 0.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9016 -0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2811 -0.7562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7302 -1.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6645 -0.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0537 4.0725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3125 5.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4796 -1.1346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8963 -0.5513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0302 1.9956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6136 2.5790 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 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 8 11 1 0 0 0 0 11 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 11 1 0 0 0 0 9 17 1 0 0 0 0 7 18 2 0 0 0 0 16 19 1 0 0 0 0 19 17 1 0 0 0 0 8 20 1 0 0 0 0 6 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 1 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 14 27 1 0 0 0 0 27 28 1 0 0 0 0 2 29 1 0 0 0 0 29 30 1 0 0 0 0 13 31 1 0 0 0 0 31 32 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 31 32 M SBL 3 1 35 M SMT 3 OCH3 M SVB 3 35 1.0624 -1.753 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 29 30 M SBL 2 1 33 M SMT 2 OCH3 M SVB 2 33 -2.6107 -0.1388 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 SVB 1 31 2.3116 -1.4444 S SKP 8 ID FLIFHXNP0004 KNApSAcK_ID C00009985 NAME (+)-12a-Hydroxyerythynone CAS_RN 128718-49-0 FORMULA C24H24O8 EXACTMASS 440.14711774399996 AVERAGEMASS 440.44256 SMILES O(c(c2)c(O1)c(c(O3)c2C(=O)C(c54)(C3COc4cc(OC)c(OC)c5)O)C=CC1(C)C)C M END