Ketcher 08141918092D 1 1.00000 0.00000 0 38 40 0 0 0 999 V2000 12.6089 -9.8460 0.0000 R 0 0 0 0 0 0 0 0 0 0 0 0 11.7478 -10.3444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7478 -11.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6089 -11.8624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5149 -11.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8867 -9.8460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0260 -10.3444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0260 -11.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8867 -11.8624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6089 -12.8592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8867 -8.8509 0.0000 R 0 0 0 0 0 0 0 0 0 0 0 0 9.1642 -9.8473 0.0000 R 0 0 0 0 0 0 0 0 0 0 0 0 10.8867 -12.8568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3762 -11.8395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5161 -10.3444 0.0000 R 0 0 0 0 0 0 0 0 0 0 0 0 15.2397 -11.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3755 -12.8362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0985 -9.8232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9820 -10.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9820 -11.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1207 -11.8395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2374 -10.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3756 -9.8245 0.0000 R 0 0 0 0 0 0 0 0 0 0 0 0 16.0928 -8.8282 0.0000 R 0 0 0 0 0 0 0 0 0 0 0 0 17.8409 -9.8198 0.0000 R 0 0 0 0 0 0 0 0 0 0 0 0 17.8438 -11.8377 0.0000 R 0 0 0 0 0 0 0 0 0 0 0 0 16.1265 -12.8342 0.0000 R 0 0 0 0 0 0 0 0 0 0 0 0 9.1629 -11.8395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1629 -12.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0260 -13.3345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4364 -12.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5734 -13.3345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2999 -13.3345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4364 -11.8395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5734 -11.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7099 -11.8395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2999 -11.3410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2999 -14.3314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 2 0 0 0 6 2 1 0 0 0 4 3 1 0 0 0 9 3 1 0 0 0 5 4 1 0 0 0 10 4 2 0 0 0 5 14 1 0 0 0 7 6 2 0 0 0 6 11 1 0 0 0 8 7 1 0 0 0 7 12 1 0 0 0 9 8 2 0 0 0 9 13 1 0 0 0 5 15 1 0 0 0 14 16 1 0 0 0 14 17 2 0 0 0 22 18 2 0 0 0 19 18 1 0 0 0 18 24 1 0 0 0 20 19 2 0 0 0 19 25 1 0 0 0 21 20 1 0 0 0 20 26 1 0 0 0 21 27 1 0 0 0 22 23 1 0 0 0 16 21 2 0 0 0 22 16 1 0 0 0 29 28 1 0 0 0 37 28 1 0 0 0 37 34 1 0 0 0 34 31 1 0 0 0 31 33 1 0 0 0 33 29 1 0 0 0 29 30 1 6 0 0 31 32 1 6 0 0 33 38 1 1 0 0 34 35 1 1 0 0 35 36 1 0 0 0 28 8 1 1 0 0 M END > CHEBI:142483 > 3'-(beta-D-glucopyranosyl)-2'-hydroxy-beta-oxodihydrochalcone > The closest compound in MetaCyc is '3-C-gluc-tautomer-2-hydroxyflavanones', but this compound includes two additional OH groups > 2 > a 3'-(beta-D-glucopyranosyl)-2'-hydroxy-beta-oxodihydrochalcone > C21H13O8R9 > 393.324 > 393.06104 > 0 > *C1=C(C(C(C(C2=C(C(=C(C(=C2*)*)*)*)*)=O)*)=O)C(=C(C(=C1*)*)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O $$$$