104842 -OEChem-03282421362D 49 53 0 1 0 0 0 0 0999 V2000 5.9302 4.8485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8242 3.2745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3162 3.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7002 4.8243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7760 -4.3452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1822 1.7792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4598 -0.5214 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0482 1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9143 2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8243 3.2861 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4452 1.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8503 0.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8390 0.3074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0482 3.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9143 1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1822 2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4138 -0.7346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3142 2.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0322 4.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8323 4.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0152 -1.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4181 -0.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0451 -1.4702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8042 1.5541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5606 -2.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 -2.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1870 -3.4336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2598 -3.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0798 1.6130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9087 0.8014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4512 1.4692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7845 2.0103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7937 2.8073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8142 4.9011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4230 4.2052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4690 -0.2089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8184 -0.6693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2709 1.8703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4880 1.0208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3376 1.2379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1280 2.7340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9432 -2.6127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4368 -1.4760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7408 -2.2984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5632 -1.9944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3076 -2.2620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6257 -3.8222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1380 -4.8485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 10 2 1 1 0 0 0 2 42 1 0 0 0 0 3 16 2 0 0 0 0 4 20 2 0 0 0 0 5 28 1 0 0 0 0 5 49 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 16 1 0 0 0 0 7 13 2 0 0 0 0 7 23 1 0 0 0 0 8 13 1 0 0 0 0 8 15 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 10 18 1 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 14 16 1 0 0 0 0 14 19 1 0 0 0 0 15 32 1 0 0 0 0 17 21 1 0 0 0 0 17 22 1 0 0 0 0 18 24 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 21 23 2 0 0 0 0 21 25 1 0 0 0 0 22 26 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 27 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 28 2 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 29 2 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 29 48 1 0 0 0 0 M END > 104842 > 1 > 820 > 6 > 2 > 2 > AAADceB7OAAAAAAAAAAAAAAAAAAAAWAAAAA8QIEAAAAAAFix8AAAHgAACAAADEzhngYyzvMIFgCoAyXyXAKCgCAhIiAImCF+bNgJZvbC8ZOWcAhm5hHL+QewwPAOgEABAAACAAAAgAIAAAQAAAAAAAAAAA== > (19S)-10,19-diethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione > (19S)-10,19-diethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]heneicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione > (19S)-10,19-diethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione > (19S)-10,19-diethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione > (19S)-10,19-diethyl-7,19-bis(oxidanyl)-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione > (19S)-10,19-diethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]heneicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-quinone > InChI=1S/C22H20N2O5/c1-3-12-13-7-11(25)5-6-17(13)23-19-14(12)9-24-18(19)8-16-15(20(24)26)10-29-21(27)22(16,28)4-2/h5-8,25,28H,3-4,9-10H2,1-2H3/t22-/m0/s1 > FJHBVJOVLFPMQE-QFIPXVFZSA-N > 1.4 > 392.13722174 > C22H20N2O5 > 392.4 > CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC)O)C2=NC5=C1C=C(C=C5)O > CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O > 100 > 392.13722174 > 0 > 29 > 1 > 0 > 0 > 0 > 0 > 1 > 3 > 1 5 255 > 12 13 8 12 17 8 14 16 8 17 21 8 10 2 5 21 23 8 21 25 8 23 27 8 25 28 8 27 29 8 28 29 8 6 16 8 6 8 8 7 13 8 7 23 8 8 15 8 9 14 8 9 15 8 $$$$