Mol:FL5FABGS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -0.9217 0.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9217 -0.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3654 -0.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1909 -0.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1909 0.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3654 0.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7472 -0.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3035 -0.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3035 0.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7472 0.4531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7472 -1.3324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8596 0.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4266 0.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9936 0.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9936 1.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4266 1.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8596 1.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4778 0.4530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7369 -0.9438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3654 -1.4737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8887 0.1957 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4832 -0.3395 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8994 -0.1124 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2909 -0.1191 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7454 0.3031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3418 0.0890 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.4100 0.2414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8660 -0.8433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5649 -0.6740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5624 0.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5381 1.0140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6275 1.4737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3420 1.0612 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 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 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 12 1 0 0 0 0 1 18 1 0 0 0 0 8 19 1 0 0 0 0 3 20 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 18 1 0 0 0 0 26 30 1 0 0 0 0 30 31 1 0 0 0 0 15 32 1 0 0 0 0 32 33 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 30 31 M SBL 2 1 33 M SMT 2 CH2OH M SVB 2 33 -3.5624 0.795 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 32 33 M SBL 1 1 35 M SMT 1 OCH3 M SVB 1 35 3.6275 1.4737 S SKP 8 ID FL5FABGS0004 KNApSAcK_ID C00005290 NAME Mumenin CAS_RN 16290-08-7 FORMULA C22H22O11 EXACTMASS 462.116211546 AVERAGEMASS 462.40348000000006 SMILES [C@H]([C@@H]1O)([C@H](C(O[C@H]1Oc(c2)cc(O3)c(C(C(=C3c(c4)ccc(OC)c4)O)=O)c2O)CO)O)O M END