Mrv1652309082221392D 32 36 0 0 1 0 999 V2000 7.4216 4.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2317 3.3091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4415 3.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8412 3.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0509 3.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8610 2.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4614 2.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2715 1.2295 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.2516 2.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9358 1.5789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1130 0.7732 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3474 1.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5634 0.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1277 0.1234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2442 -0.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8585 -1.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6830 -1.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 -0.7618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0474 -1.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6593 -0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3222 0.1335 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7332 0.8489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5019 0.0456 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8876 0.7748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0922 -0.6525 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2754 -0.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5829 -0.0034 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4056 0.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5806 0.8088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5955 1.6051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1149 2.2461 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6056 2.8951 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 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 3 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 6 0 0 0 12 13 3 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 3 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 1 0 0 0 21 23 1 0 0 0 0 18 23 1 0 0 0 0 11 23 1 0 0 0 0 23 24 1 6 0 0 0 15 25 1 0 0 0 0 25 26 1 6 0 0 0 26 27 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 6 31 1 0 0 0 0 31 32 1 6 0 0 0 M END > NP0272850 > NP-MRD > COC1=CC=C2[C@@H](O)CC(=O)N3C[C@H]3C3=CC#C[C@H](OC1=C2Cl)[C@@]1(O)[C@@H](O)CC=C1C#C3 > InChI=1S/C24H20ClNO6/c1-31-18-9-8-15-17(27)11-21(29)26-12-16(26)13-3-2-4-20(32-23(18)22(15)25)24(30)14(6-5-13)7-10-19(24)28/h3,7-9,16-17,19-20,27-28,30H,10-12H2,1H3/b13-3+/t16-,17-,19-,20-,24-,26?/m0/s1 > RUCAXECSYVMPPH-QFIHHIJXSA-N > C24H20ClNO6 > 453.88 > 453.0979151 > 6 > 52 > 43.1703430317594 > 1 > 3 > 0 > 1 > (1E,2R,7S,14S,15S,16S)-25-chloro-7,15,16-trihydroxy-11-methoxy-13-oxa-4-azapentacyclo[12.7.3.1^{8,12}.0^{2,4}.0^{15,19}]pentacosa-1(22),8,10,12(25),18-pentaen-20,23-diyn-5-one > 0.6024688173333337 > 0 > 5 > 0 > 13.885193399218107 > 11.67055679459152 > -2.1321915672864615 > 99.23 > 118.00169999999999 > 1 > 1 > (1E,2R,7S,14S,15S,16S)-25-chloro-7,15,16-trihydroxy-11-methoxy-13-oxa-4-azapentacyclo[12.7.3.1^{8,12}.0^{2,4}.0^{15,19}]pentacosa-1(22),8,10,12(25),18-pentaen-20,23-diyn-5-one > 0 > NP0272850 > (1e,2r,7s,14s,15s,16s)-25-chloro-7,15,16-trihydroxy-11-methoxy-13-oxa-4-azapentacyclo[12.7.3.1⁸,¹².0²,⁴.0¹⁵,¹⁹]pentacosa-1(22),8,10,12(25),18-pentaen-20,23-diyn-5-one $$$$