Mrv1652309122217442D 34 38 0 0 1 0 999 V2000 -1.8650 -5.5533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2586 -4.8282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8274 -4.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0027 -4.1466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2209 -3.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0457 -3.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4392 -2.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0080 -1.9496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4016 -1.2245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 -1.9713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7522 -1.2679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9274 -1.2897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5339 -2.0147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4963 -0.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3284 -0.6080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7596 0.0953 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3737 -0.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0219 0.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6747 -0.1072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1171 1.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5598 1.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3827 1.5029 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2204 1.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1096 1.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0647 0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2145 0.2202 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5415 0.9817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6837 1.8960 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2135 2.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8768 2.2182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6384 3.0080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4346 0.6175 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7898 -2.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9651 -2.7181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 11 10 1 4 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 16 15 1 6 0 0 0 16 17 1 1 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 6 0 0 0 27 28 1 0 0 0 0 24 28 1 0 0 0 0 28 29 1 6 0 0 0 28 30 1 0 0 0 0 22 30 1 0 0 0 0 30 31 1 1 0 0 0 32 26 1 1 0 0 0 16 32 1 0 0 0 0 22 32 1 0 0 0 0 10 33 2 0 0 0 0 5 33 1 0 0 0 0 33 34 1 0 0 0 0 M END > NP0330413 > NP-MRD > COC(=O)C1=CC=C(O)C(N=C(O)CC[C@@]2(C)[C@@H]3[C@@H]4CC5C[C@@]3(C=CC2=O)[C@@H](O)[C@]5(C)O4)=C1O > InChI=1S/C25H29NO8/c1-23(8-7-17(29)26-18-14(27)5-4-13(19(18)30)21(31)33-3)16(28)6-9-25-11-12-10-15(20(23)25)34-24(12,2)22(25)32/h4-6,9,12,15,20,22,27,30,32H,7-8,10-11H2,1-3H3,(H,26,29)/t12?,15-,20-,22-,23+,24+,25+/m0/s1 > DNQXWIUWKPRGGF-ZJGWFVNUSA-N > C25H29NO8 > 471.506 > 471.189316898 > 8 > 63 > 42.36270651743033 > 1 > 4 > 0 > 1 > N-[2,6-dihydroxy-3-(methoxycarbonyl)phenyl]-3-[(1S,5S,6R,7S,9R,12R)-12-hydroxy-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.1^{7,10}.0^{1,6}]tridec-2-en-5-yl]propanimidic acid > 4.6905632216666655 > 1 > 5 > 0 > 8.602849244913386 > 5.065511427012936 > -1.245859665503683 > 145.88 > 123.54219999999998 > 6 > 1 > N-[2,6-dihydroxy-3-(methoxycarbonyl)phenyl]-3-[(1S,5S,6R,7S,9R,12R)-12-hydroxy-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.1^{7,10}.0^{1,6}]tridec-2-en-5-yl]propanimidic acid > 0 > NP0330413 > n-[2,6-dihydroxy-3-(methoxycarbonyl)phenyl]-3-[(1s,5s,6r,7s,9r,12r)-12-hydroxy-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.1⁷,¹⁰.0¹,⁶]tridec-2-en-5-yl]propanimidic acid $$$$