Mrv1652304282218042D 28 33 0 0 1 0 999 V2000 2.6288 -3.9566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2863 -3.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7649 -2.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5862 -2.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9288 -3.3633 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4501 -4.0352 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7926 -4.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6139 -4.8643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0926 -4.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -3.4418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9138 -4.2709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2564 -5.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7777 -5.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9565 -5.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0760 -4.9276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2400 -4.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5217 -3.7132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9714 -4.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3140 -5.4576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4650 -3.1275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9863 -3.7994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3289 -4.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1501 -4.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4927 -5.3790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0140 -6.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7210 -5.1077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0027 -4.7018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 -3.8933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 5 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 8 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 11 17 1 0 0 0 0 6 18 1 6 0 0 0 18 19 1 0 0 0 0 2 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 1 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 22 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 21 28 1 0 0 0 0 M END > NP0070640 > NP-MRD > COC1=C2OCOC2=CC2=C1[C@]1(CO)CC3=C(CN1CC2)C1=C(OCO1)C=C3 > InChI=1S/C21H21NO6/c1-24-20-17-12(6-16-19(20)28-11-26-16)4-5-22-8-14-13(7-21(17,22)9-23)2-3-15-18(14)27-10-25-15/h2-3,6,23H,4-5,7-11H2,1H3/t21-/m1/s1 > HTDCXQCQZYTCTE-OAQYLSRUSA-N > C21H21NO6 > 383.4 > 383.1368874 > 7 > 49 > 39.33906974176636 > 1 > 1 > 0 > 1 > [(1S)-3-methoxy-5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.0^{2,10}.0^{4,8}.0^{15,23}.0^{16,20}]tetracosa-2(10),3,8,15(23),16(20),21-hexaen-1-yl]methanol > 1.61 > 2.101122154333333 > -2.67 > 0 > 6 > 0 > 14.613692990559993 > 4.72721923846559 > 69.62000000000002 > 99.6816 > 2 > 1 > 8.17e-01 g/l > [(1S)-3-methoxy-5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.0^{2,10}.0^{4,8}.0^{15,23}.0^{16,20}]tetracosa-2(10),3,8,15(23),16(20),21-hexaen-1-yl]methanol > 0 > NP0070640 > Zijinlongine $$$$