Mol:PR101047
From Metabolomics.JP
32 35 0 0 0 0 0 0 0 0999 V2000 22.9713 -17.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7241 -18.2357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5108 -18.9318 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5173 -20.3110 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2977 -18.2357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3040 -21.0071 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7241 -21.0071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1694 -18.9318 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.1483 -20.3431 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.3040 -22.4056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9159 -18.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9094 -21.0134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1680 -18.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3906 -17.5722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3644 -16.1724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2144 -15.4578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9452 -16.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6158 -18.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7683 -17.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7889 -16.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5636 -15.4499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1942 -19.6464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.9632 -15.4198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.5952 -19.6460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7509 -15.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7591 -14.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5508 -13.3396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3343 -14.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3260 -15.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5343 -16.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1217 -13.3227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5123 -11.9469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 3 2 1 1 0 0 3 4 1 0 0 0 3 5 1 0 0 0 4 6 1 0 0 0 4 7 1 6 0 0 5 8 1 0 0 0 6 9 1 0 0 0 6 10 1 6 0 0 8 11 1 6 0 0 9 12 1 1 0 0 8 9 1 0 0 0 1 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 1 17 2 0 0 0 14 18 2 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 20 21 1 0 0 0 15 21 2 0 0 0 13 22 2 0 0 0 20 23 1 0 0 0 18 24 1 0 0 0 17 25 1 0 0 0 25 26 2 0 0 0 26 27 1 0 0 0 27 28 2 0 0 0 28 29 1 0 0 0 29 30 2 0 0 0 25 30 1 0 0 0 28 31 1 0 0 0 27 32 1 0 0 0 S SKP 7 CAS_RN 522-12-3 NAME Quercetin-3-O-alpha-L-rhamnopyranoside ID PR101047 FORMULA C21H20O11 EXACTMASS 448.100561482 AVERAGEMASS 448.3769 SMILES Oc(c4)c(O)cc(c4)C(O1)=C(O[C@H](O3)[C@H](O)[C@H](O)[C@@H](O)[C@H](C)3)C(=O)c(c(O)2)c(cc(O)c2)1 M END