Mol:FL4DE8NI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 31 0 0 0 0 0 0 0 0999 V2000 -1.8474 -0.2572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1339 0.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8424 -1.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1247 -1.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4139 -1.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4176 -0.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 -1.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0159 -1.0665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0104 -0.2415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2950 0.1662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7249 0.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4403 -0.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1538 0.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1488 1.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4337 1.4128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7208 0.9975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 -2.3087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1247 -2.3151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5618 0.1553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7304 -1.4790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4279 -1.4203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1538 -1.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4403 -0.8923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4337 2.1122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1339 0.9081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7761 1.2789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7761 1.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 2.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3014 2.2833 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 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 4 18 1 0 0 0 0 8 20 1 1 0 0 0 1 19 1 0 0 0 0 3 21 1 0 0 0 0 21 22 1 0 0 0 0 12 23 1 0 0 0 0 15 24 1 0 0 0 0 2 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 S SKP 8 ID FL4DE8NI0001 KNApSAcK_ID C00014382 NAME Paraibanol;3,5,7,2',5'-Pentahydroxy-6-methoxy-8-prenylflavanone CAS_RN 253786-79-7 FORMULA C21H22O8 EXACTMASS 402.13146768 AVERAGEMASS 402.39458 SMILES COc(c(O)3)c(c(c2c(CC=C(C)C)3)C(C(O)C(O2)c(c1)c(O)ccc(O)1)=O)O M END