Mol:FL4DAAGI0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 37 40 0 0 0 0 0 0 0 0999 V2000 -0.9978 -0.8295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2777 -0.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0066 -1.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2938 -2.0733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4218 -1.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4331 -0.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1349 -2.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8530 -1.6861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8598 -0.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1531 -0.4429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6070 0.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3262 0.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0345 0.3668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0281 -0.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3082 -0.8642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 -2.9177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7061 -0.4104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5414 -2.0836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2938 -2.8244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3262 1.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7679 0.7902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7373 1.8733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7373 2.5722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3357 2.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1619 2.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2847 -0.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8721 -1.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0737 -0.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2803 -1.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6928 -0.3222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4912 -0.5313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6482 0.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1281 0.3316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7679 -0.7878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3208 -0.7602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2452 -1.4501 0.0000 O 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 6 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 1 0 0 0 4 20 1 0 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 27 28 1 1 0 0 0 28 29 1 1 0 0 0 30 29 1 1 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 27 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 27 35 1 0 0 0 0 28 36 1 0 0 0 0 29 37 1 0 0 0 0 30 18 1 0 0 0 0 S SKP 8 ID FL4DAAGI0004 KNApSAcK_ID C00014416 NAME Phellochinin A;3,5,7,4'-Tetrahydroxy-3'-prenylflavanone 7-glucoside CAS_RN 220860-05-9 FORMULA C26H30O11 EXACTMASS 518.1788118019999 AVERAGEMASS 518.5098 SMILES C(C(O1)C(O)C(C(O)C1Oc(c2)cc(O)c(C3=O)c2OC(c(c4)cc(c(O)c4)CC=C(C)C)C3O)O)O M END