Mrv1718001301819202D 56 60 0 0 0 0 999 V2000 1.1177 -2.9337 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2698 -2.9025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0998 -1.4928 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5264 -2.1773 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2722 -1.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1301 -2.1682 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9833 -2.1769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6718 -0.7585 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3390 -1.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6257 -1.4822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3397 -0.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6237 0.1700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1862 0.9307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1705 0.1382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7927 1.0191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7904 0.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0741 -0.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3697 0.1786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6342 -0.2389 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0061 0.9895 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0691 0.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7379 -0.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6388 0.1649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3650 -1.4936 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0717 -1.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7842 -1.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7927 -2.3677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1668 -1.4541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9037 -0.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8922 -1.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4765 -0.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4837 -1.0682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6686 -1.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0197 2.2429 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7330 1.9331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 2.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9221 3.2160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4920 3.5952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3397 2.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9432 1.0885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6537 1.5193 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6967 2.1925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7317 3.0674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4594 1.8057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1986 2.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9044 1.8084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6148 2.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 1.8226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6883 -3.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6257 -2.3066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1668 -2.2785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9479 -2.0765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0512 -0.8218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3509 -2.1773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2085 -2.8893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8393 -0.2853 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 1 49 1 6 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 6 2 1 0 0 0 0 6 7 1 1 0 0 0 6 5 1 0 0 0 0 3 8 1 6 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 29 1 0 0 0 0 13 14 2 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 25 1 0 0 0 0 18 19 1 0 0 0 0 19 21 1 1 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 24 33 1 0 0 0 0 25 24 1 0 0 0 0 26 25 2 0 0 0 0 26 32 1 0 0 0 0 27 26 1 0 0 0 0 28 32 1 0 0 0 0 29 30 2 0 0 0 0 30 10 1 0 0 0 0 30 28 1 0 0 0 0 31 14 1 0 0 0 0 31 16 1 0 0 0 0 32 31 2 0 0 0 0 33 19 1 0 0 0 0 34 35 1 0 0 0 0 35 40 2 0 0 0 0 36 37 1 0 0 0 0 36 34 1 0 0 0 0 37 39 2 0 0 0 0 38 36 2 0 0 0 0 39 35 1 0 0 0 0 41 42 1 0 0 0 0 41 20 1 0 0 0 0 42 43 2 0 0 0 0 44 45 1 0 0 0 0 44 42 1 0 0 0 0 46 47 1 0 0 0 0 46 45 1 0 0 0 0 47 48 1 0 0 0 0 48 34 1 0 0 0 0 10 50 1 0 0 0 0 28 51 2 0 0 0 0 24 52 1 1 0 0 0 24 7 1 6 0 0 0 19 53 1 6 0 0 0 4 54 1 6 0 0 0 50 55 1 0 0 0 0 M END > DBSALT002639 > drugbank > Cl.[H][C@@]1(C[C@@](O)(CC2=C(O)C3=C(C(O)=C12)C(=O)C1=C(C=CC=C1OC)C3=O)C(\CO)=N\NC(=O)CCCCCN1C(=O)C=CC1=O)O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 > InChI=1S/C37H42N4O13.ClH/c1-17-32(46)20(38)13-27(53-17)54-22-15-37(51,23(16-42)39-40-24(43)9-4-3-5-12-41-25(44)10-11-26(41)45)14-19-29(22)36(50)31-30(34(19)48)33(47)18-7-6-8-21(52-2)28(18)35(31)49;/h6-8,10-11,17,20,22,27,32,42,46,48,50-51H,3-5,9,12-16,38H2,1-2H3,(H,40,43);1H/b39-23+;/t17-,20-,22-,27-,32+,37-;/m0./s1 > NGKHWQPYPXRQTM-UKFSEGPMSA-N > C37H43ClN4O13 > 787.22 > 786.2515152 > 15 > 98 > 77.14563661972375 > 0 > 7 > 0 > 0 > N'-{1-[(2S,4S)-4-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl]-2-hydroxyethylidene}-6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanehydrazide hydrochloride > 1.26 > 0.7066950389140945 > -3.70 > 1 > 6 > 1 > 10.172781790173985 > 8.196718018866292 > 9.386596589768699 > 267.84 > 189.86210000000005 > 12 > 0 > 1.51e-01 g/l > N'-{1-[(2S,4S)-4-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-hydroxyethylidene}-6-(2,5-dioxopyrrol-1-yl)hexanehydrazide hydrochloride > 0 > DBSALT002639 > Aldoxorubicin hydrochloride > DB06013 > Aldoxorubicin > 1361563-03-2 > S098K6HGD9 $$$$