Ketcher 01102016002D 1 1.00000 0.00000 0 42 46 0 1 0 999 V2000 6.3631 -13.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4972 -14.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4972 -15.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3631 -15.6946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2292 -15.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2292 -14.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0950 -13.6948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0950 -15.6946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9610 -15.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9610 -14.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8269 -13.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6928 -12.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8269 -12.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6928 -14.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5586 -13.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5586 -12.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4247 -14.1948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0950 -16.6943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3631 -16.6943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6296 -13.6857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8269 -15.6946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4247 -12.1950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8269 -16.6943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6927 -17.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9610 -17.1943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6928 -18.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9608 -18.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8268 -18.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5586 -16.6944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5586 -18.6941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8266 -19.6941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0950 -18.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6380 -12.6859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7763 -12.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5081 -12.1933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7846 -11.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5166 -11.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6547 -10.6862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9063 -12.6714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9229 -10.6719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6632 -9.6863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3865 -10.7009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 1 6 1 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 7 10 1 0 0 0 5 8 1 0 0 0 7 6 1 0 0 0 10 11 1 0 0 0 13 11 2 0 0 0 12 13 1 0 0 0 11 14 1 0 0 0 14 15 2 0 0 0 12 16 2 0 0 0 15 16 1 0 0 0 15 17 1 0 0 0 8 18 2 0 0 0 4 19 1 0 0 0 2 20 1 0 0 0 9 21 1 0 0 0 16 22 1 0 0 0 23 24 1 0 0 0 23 25 1 0 0 0 24 26 1 0 0 0 25 27 1 0 0 0 26 28 1 0 0 0 27 28 1 0 0 0 24 29 1 6 0 0 26 30 1 6 0 0 28 31 1 1 0 0 27 32 1 6 0 0 23 21 1 1 0 0 33 34 1 0 0 0 33 35 1 0 0 0 34 36 1 0 0 0 35 37 1 0 0 0 36 38 1 0 0 0 37 38 1 0 0 0 34 39 1 6 0 0 36 40 1 6 0 0 38 41 1 1 0 0 37 42 1 6 0 0 33 20 1 1 0 0 M END > CHEBI:133245 > quercetin 3,7-di-O-alpha-L-rhamnoside > A quercetin O-glycoside that is quercetin carrying two α-L-rhamnosyl residues at positions O-3 and O-7. > 3 > Quercetin 3,7-dirhamnoside; quercetin 3,7-di-O-rhamnoside; Quercetin 3,7-di-O-alpha-L-rhamnopyranoside > C27H30O15 > 594.522 > 594.15847 > 0 > C1=C(C=C(C2=C1OC(=C(C2=O)O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)O)O)O)C4=CC=C(C(=C4)O)O)O)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)O)O)O > InChI=1S/C27H30O15/c1-8-17(31)20(34)22(36)26(38-8)40-11-6-14(30)16-15(7-11)41-24(10-3-4-12(28)13(29)5-10)25(19(16)33)42-27-23(37)21(35)18(32)9(2)39-27/h3-9,17-18,20-23,26-32,34-37H,1-2H3/t8-,9-,17-,18-,20+,21+,22+,23+,26-,27-/m0/s1 > GXLQUHPXGLZNGE-BJBZVNFPSA-N > 28638-13-3 > 1338517 > C00005432 > LMPK12112200 > 24690446; 25026709 $$$$