Mol:FL4DACGI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 38 41 0 0 0 0 0 0 0 0999 V2000 -0.9978 0.8313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2777 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0066 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2938 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4218 -0.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4331 0.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1349 -0.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8530 -0.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8598 0.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1531 1.2179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 1.2155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6070 2.0410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3262 2.4465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0345 2.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0281 1.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3082 0.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 -1.2569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7061 1.2504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5414 -0.4228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2938 -1.1636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7679 2.4510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2847 1.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8721 0.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0737 0.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2803 0.6238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6928 1.3386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4912 1.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6482 1.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1281 1.9924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7679 0.8730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3208 0.9006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2452 0.2107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6819 0.8271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6103 -0.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6103 -1.1322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4002 -1.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4002 -2.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0389 -1.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 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 2 1 0 0 0 0 5 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 6 1 0 0 0 0 9 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 7 17 2 0 0 0 0 1 18 1 0 0 0 0 8 19 1 0 0 0 0 4 20 1 0 0 0 0 14 21 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 22 30 1 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 25 18 1 0 0 0 0 15 33 1 0 0 0 0 3 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 S SKP 8 ID FL4DACGI0001 KNApSAcK_ID C00014417 NAME 3,5,7,3',4'-Pentahydroxy-6-prenylflavanone 7-glucoside CAS_RN 340997-06-0 FORMULA C26H30O12 EXACTMASS 534.173726424 AVERAGEMASS 534.5092 SMILES c(c1O)(O)ccc(C(C(O)4)Oc(c2)c(C(=O)4)c(c(c2OC(O3)C(C(C(O)C(CO)3)O)O)CC=C(C)C)O)c1 M END