45 47 0 0 1 0 0 0 0 0999 V2000 23.5387 -13.9584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5387 -15.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3329 -13.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7503 -13.2495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.7563 -16.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3329 -16.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1331 -13.9584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3272 -11.8896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9678 -13.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9794 -15.3588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7563 -17.4333 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 21.1331 -15.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9388 -13.2728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.1549 -13.2552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.5863 -15.9616 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.7520 -13.9641 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 28.7862 -15.2703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7520 -15.3588 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5402 -13.2728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.9804 -15.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7862 -13.8930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5402 -16.0620 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9447 -16.0446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3462 -13.9641 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 29.9862 -17.3446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1615 -15.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3462 -15.3588 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.5402 -17.4450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5253 -12.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9223 -14.2416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1673 -18.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.3615 -15.9559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1462 -16.0446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3403 -18.1306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.3674 -17.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1673 -19.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7399 -16.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3346 -19.5008 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1462 -17.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.5614 -18.0175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.3674 -20.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.3674 -21.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.5614 -22.1724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1673 -22.1724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.4428 -16.9586 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 2 0 0 0 3 8 1 0 0 0 4 9 1 0 0 0 5 10 2 0 0 0 5 11 1 0 0 0 6 12 2 0 0 0 7 13 1 0 0 0 9 14 2 0 0 0 10 15 1 0 0 0 16 13 1 1 0 0 15 17 1 0 0 0 16 18 1 0 0 0 16 19 1 0 0 0 17 20 1 0 0 0 17 21 2 0 0 0 18 22 1 0 0 0 18 23 1 6 0 0 19 24 1 0 0 0 20 25 1 0 0 0 20 26 2 0 0 0 22 27 1 0 0 0 22 28 1 6 0 0 24 29 1 0 0 0 24 30 1 0 0 0 25 31 2 0 0 0 26 32 1 0 0 0 27 33 1 1 0 0 28 34 1 0 0 0 31 35 1 0 0 0 31 36 1 0 0 0 33 37 1 0 0 0 34 38 1 0 0 0 34 39 2 0 0 0 35 40 1 0 0 0 36 41 1 0 0 0 41 42 2 0 0 0 42 43 1 0 0 0 42 44 1 0 0 0 7 12 1 0 0 0 9 10 1 0 0 0 24 27 1 0 0 0 32 35 2 0 0 0 M CHG 2 11 -1 45 1 M END > CHEBI:31924 > Novobiocin sodium > 2 > Novobiocin sodium > C31H35N2O11.Na > 634.607 > 634.21385 > 0 > [Na+].CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C > InChI=1S/C31H36N2O11.Na/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29;/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37);/q;+1/p-1/t23-,25+,26-,29-;/m1./s1 > WWPRGAYLRGSOSU-RNROJPEYSA-M > 1476-53-5 > C12609 > D01209 $$$$