Mol:PR100977
From Metabolomics.JP
ACD/Labs04270909332D 31 34 0 0 1 0 0 0 0 0 1 V2000 12.5300 -8.7205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3627 -8.2398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3627 -7.2783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5300 -6.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6974 -7.2783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6974 -8.2398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1953 -8.7205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1953 -6.7976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9064 -6.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9064 -7.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7390 -8.0987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5717 -7.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5717 -6.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7390 -6.1759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4043 -8.0987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2370 -7.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2370 -6.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4043 -6.1759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0696 -6.1759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9022 -6.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7349 -6.1759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7349 -5.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9022 -4.7337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0696 -5.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5675 -4.7337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8256 -8.2339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4043 -9.0602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7390 -9.0602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8381 -6.1558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5300 -9.6820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9022 -3.7722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 2 7 1 6 0 0 0 3 8 1 6 0 0 0 9 10 2 0 0 0 0 10 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 9 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 13 1 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 19 1 0 0 0 0 22 25 1 0 0 0 0 16 26 1 0 0 0 0 15 27 2 0 0 0 0 11 28 1 0 0 0 0 9 29 1 0 0 0 0 6 26 1 6 0 0 0 1 30 1 1 0 0 0 23 31 1 0 0 0 0 S SKP 7 CAS_RN 22255-13-6 NAME Quercetin-3-Arabinoside ID PR100977 FORMULA C20H18O11 EXACTMASS 434.084911418 AVERAGEMASS 434.35032 SMILES Oc(c4)c(O)cc(c4)C(O1)=C(OC(O3)C(O)C(O)C(O)C3)C(=O)c(c(O)2)c(cc(O)c2)1 M END