Ketcher 06091509362D 1 1.00000 0.00000 0 44 48 0 1 0 999 V2000 12.9907 -14.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9907 -15.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8401 -16.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7394 -15.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7394 -14.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8401 -14.1399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5888 -16.1384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4382 -15.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4382 -14.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5888 -14.1399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3376 -16.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1870 -15.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1870 -14.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3376 -14.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0364 -16.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9357 -15.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9357 -14.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0364 -14.1399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0364 -17.1377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3376 -17.1377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1413 -14.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7851 -14.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1413 -16.1384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8401 -17.1377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2919 -14.6395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4425 -14.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4425 -13.1406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5432 -12.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6938 -13.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6938 -14.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5432 -14.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6845 -14.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5338 -14.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5338 -13.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6845 -12.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7851 -13.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6845 -11.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3832 -12.6409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2826 -13.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8444 -14.6395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5432 -15.6388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5432 -11.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8444 -12.6409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5498 -11.1420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 1 6 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 5 10 1 1 0 0 8 11 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 9 14 2 0 0 0 12 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 13 18 1 0 0 0 15 19 2 0 0 0 11 20 1 0 0 0 1 21 1 1 0 0 17 22 1 6 0 0 4 7 1 6 0 0 2 23 1 6 0 0 3 24 1 1 0 0 21 25 1 0 0 0 26 25 1 1 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 26 31 1 0 0 0 22 32 2 0 0 0 32 33 1 0 0 0 33 34 2 0 0 0 34 35 1 0 0 0 35 36 2 0 0 0 22 36 1 0 0 0 35 37 1 0 0 0 34 38 1 0 0 0 38 39 1 0 0 0 30 40 1 6 0 0 31 41 1 6 0 0 28 42 1 6 0 0 29 43 1 1 0 0 37 44 1 0 0 0 M END > CHEBI:81056 > methyl hesperidin > A flavanone glycoside that is hesperidin in which the hydroxy group at position 3' has been replaced by a methoxy group. > 3 > (2S)-2-(3,4-dimethoxyphenyl)-5-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside > C29H36O15 > 624.58710 > 624.20542 > 0 > COc1ccc(cc1OC)[C@@H]1CC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc2O1 > InChI=1S/C29H36O15/c1-11-22(32)24(34)26(36)28(41-11)40-10-20-23(33)25(35)27(37)29(44-20)42-13-7-14(30)21-15(31)9-17(43-19(21)8-13)12-4-5-16(38-2)18(6-12)39-3/h4-8,11,17,20,22-30,32-37H,9-10H2,1-3H3/t11-,17-,20+,22-,23+,24+,25-,26+,27+,28+,29+/m0/s1 > GUMSHIGGVOJLBP-SLRPQMTOSA-N > 11013-97-1 > 75254 > 11013-97-1 > C17393 > 19326773; 5632073 $$$$