Mrv0541 02231219232D 45 49 0 0 0 0 999 V2000 17.4628 -14.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.1465 -14.9175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4461 -10.4221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3280 -13.8086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.2810 -13.7805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6146 -11.2446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7771 -14.5903 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5644 -15.7201 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.0437 -15.7201 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.8047 -16.8499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0961 -15.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5119 -15.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3171 -14.2878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2647 -14.2878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4663 -14.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1155 -14.0668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2978 -15.3071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1900 -13.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3116 -15.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0961 -16.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3641 -13.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1431 -17.3734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3448 -17.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2978 -16.1331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5395 -16.3265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3116 -16.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2922 -17.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6412 -14.8076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4663 -17.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3917 -18.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6649 -12.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9681 -14.7798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2177 -18.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8751 -12.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5833 -16.5456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9704 -16.6021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8804 -15.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3181 -11.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7290 -15.0985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7067 -18.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8384 -18.7560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2237 -14.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3855 -14.5988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7930 -11.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0916 -19.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 42 1 0 0 0 0 2 43 1 0 0 0 0 3 44 1 0 0 0 0 4 42 2 0 0 0 0 5 43 2 0 0 0 0 6 44 2 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 11 1 0 0 0 0 8 20 2 0 0 0 0 9 12 1 0 0 0 0 9 25 2 0 0 0 0 10 22 1 0 0 0 0 10 29 2 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 15 18 2 0 0 0 0 16 21 2 0 0 0 0 17 24 2 0 0 0 0 17 28 1 0 0 0 0 18 21 1 0 0 0 0 18 31 1 0 0 0 0 19 26 2 0 0 0 0 19 32 1 0 0 0 0 20 23 1 0 0 0 0 20 24 1 0 0 0 0 21 34 1 0 0 0 0 22 23 1 0 0 0 0 22 30 1 0 0 0 0 24 35 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 36 1 0 0 0 0 27 29 1 0 0 0 0 28 37 1 0 0 0 0 29 33 1 0 0 0 0 30 33 2 0 0 0 0 30 41 1 0 0 0 0 31 38 1 0 0 0 0 32 39 1 0 0 0 0 33 40 1 0 0 0 0 37 42 1 0 0 0 0 38 44 1 0 0 0 0 39 43 1 0 0 0 0 41 45 2 0 0 0 0 M END > HMDB0002160 > hmdb > CC1=C2CC3N=C(CC4N=C(CC5=NC(CC(N2)=C1CCC(O)=O)C(CCC(O)=O)=C5C)C(C)=C4C=C)C(C)=C3CCC(O)=O > InChI=1S/C35H42N4O6/c1-6-21-17(2)25-13-26-18(3)23(8-11-34(42)43)31(37-26)16-32-24(9-12-35(44)45)20(5)28(39-32)15-30-22(7-10-33(40)41)19(4)27(38-30)14-29(21)36-25/h6,29-31,39H,1,7-16H2,2-5H3,(H,40,41)(H,42,43)(H,44,45) > QTGZHJUSEYHULR-UHFFFAOYSA-N > C35H42N4O6 > 614.7312 > 614.310435096 > 9 > 69.26252628473833 > 1 > 4 > 0 > 0 > 3-[9,20-bis(2-carboxyethyl)-14-ethenyl-5,10,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-3,5,9,11(23),14,16(22),18(21),19-octaen-4-yl]propanoic acid > 2.68 > 0.7676934222273167 > -4.30 > 1 > 5 > -3 > 4.103001209631666 > 3.6466583126260153 > 5.9611868103100525 > 164.76999999999998 > 172.45970000000005 > 10 > 0 > 3.09e-02 g/l > harderoporphyrinogen > 0 > HMDB0002160 > Harderoporphyrinogen $$$$