Ketcher 04142113212D 1 1.00000 0.00000 0 41 46 0 1 0 999 V2000 41.7623 -12.4873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 41.7623 -13.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.8962 -13.9872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.8963 -14.9873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.7623 -15.4873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.6283 -14.9873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.6283 -13.9873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.4943 -13.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.3603 -13.9872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.2264 -13.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.3603 -12.9872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 44.3603 -11.9872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.4942 -11.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.2263 -11.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.0924 -11.9872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.0924 -12.9872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.9584 -13.4872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 47.8244 -12.9872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.8244 -11.9872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 48.6904 -11.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 49.5564 -11.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 50.4225 -11.4871 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 51.2886 -11.9872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 50.4225 -10.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 49.5565 -12.9872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 50.4225 -13.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 48.6905 -13.4872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 46.9584 -11.4872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 46.0924 -13.9872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 46.0924 -14.9873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.8355 -15.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.0060 -14.5805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 45.2264 -15.4873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.4174 -16.0750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 45.4343 -16.4653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 46.4288 -16.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.9288 -17.4359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 44.3603 -14.9872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.4943 -15.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.4944 -16.4873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 43.4942 -12.4872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 7 2 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 10 9 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 6 0 0 12 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 10 1 0 0 0 16 17 1 1 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 22 24 1 0 0 0 21 25 1 0 0 0 25 26 1 0 0 0 25 27 1 0 0 0 27 18 1 0 0 0 15 28 2 0 0 0 10 29 1 6 0 0 29 30 1 0 0 0 30 31 1 0 0 0 30 32 1 1 0 0 30 33 1 0 0 0 33 34 1 1 0 0 33 35 1 0 0 0 35 36 1 0 0 0 36 31 1 0 0 0 36 37 2 0 0 0 9 38 2 0 0 0 38 33 1 0 0 0 38 39 1 0 0 0 39 6 1 0 0 0 39 40 2 0 0 0 8 41 2 0 0 0 M END > CHEBI:156301 > auricin > An angucycline-like polyketide discovered in Streptomyces aureofaciens that is only stable at acidic pH. > 3 > (2'S,3'R,3aR,6'R,11bR)-3'-{[5-(dimethylamino)-6-methyltetrahydro-2H-pyran-2-yl]oxy}-7-hydroxy-6'-methyl-3a,5',6',11b-tetrahydrospiro[benzo[g]furo[3,2-c]isochromene-5,2'-pyran]-2,4',6,11(3H,3'H)-tetrone > C28H31NO10 > 541.553 > 541.19480 > 0 > [H][C@@]12CC(=O)O[C@]1([H])C1=C(C(=O)C3=C(C=CC=C3O)C1=O)[C@]1(O[C@H](C)CC(=O)[C@H]1OC1CCC(C(C)O1)N(C)C)O2 > InChI=1S/C28H31NO10/c1-12-10-17(31)27(37-20-9-8-15(29(3)4)13(2)35-20)28(38-12)23-22(26-18(39-28)11-19(32)36-26)24(33)14-6-5-7-16(30)21(14)25(23)34/h5-7,12-13,15,18,20,26-27,30H,8-11H2,1-4H3/t12-,13?,15?,18-,20?,26+,27-,28+/m1/s1 > DIESPMSGQPRWLG-VLKAYIDRSA-N > 12384301; 16079347; 20466770; 20490753; 21393365; 21584781; 23081778; 23373695; 23763439; 24265028; 25219533; 26685675; 29155332; 29496832; 31349574 $$$$