Mol:FL1C3CGS0016
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 36 38 0 0 0 0 0 0 0 0999 V2000 -0.9073 -0.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9073 -1.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3533 -1.3678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2007 -1.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2007 -0.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3533 -0.0884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7544 -1.3676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3069 -1.0486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8583 -1.3669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4084 -1.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9468 -1.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4851 -1.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4851 -0.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9468 -0.1168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4084 -0.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7544 -2.0056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3533 -2.0072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4610 -0.0885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3922 -1.4184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0234 -1.3601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5074 -0.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1611 -0.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6625 -0.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1429 -0.5745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5310 -0.2139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0404 -0.3968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8945 -0.5291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7009 -0.7889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3769 -1.0483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4858 0.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4858 0.8934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1078 1.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7379 1.0836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1078 2.0072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0234 -0.1169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7379 -0.5294 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 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 11 2 0 0 0 0 11 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 10 1 0 0 0 0 7 16 2 0 0 0 0 3 17 1 0 0 0 0 1 18 1 0 0 0 0 19 2 1 0 0 0 0 12 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 26 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 32 34 2 0 0 0 0 24 18 1 0 0 0 0 13 35 1 0 0 0 0 35 36 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 35 36 M SBL 1 1 37 M SMT 1 OCH3 M SBV 1 37 -8.1818 4.1307 S SKP 8 ID FL1C3CGS0016 KNApSAcK_ID C00007907 NAME Okanin 4-methyl ether 4'-(6''-acetylglucoside) CAS_RN 142628-33-9 FORMULA C24H26O12 EXACTMASS 506.142426296 AVERAGEMASS 506.45604 SMILES C(C1O)(C(COC(C)=O)OC(Oc(c2)c(O)c(O)c(C(C=Cc(c3)cc(c(OC)c3)O)=O)c2)C1O)O M END