NSC135092
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Creator
US National Cancer Institute
Publication Date
2006-01-11Publisher
Unilever Center for Molecular Informatics, Cambridge University
Language
en_GB
Type
Chemical Structures
Metadata
Show full item recordIdentifiers
NSC135092
This record's URL: http://www.dspace.cam.ac.uk/handle/1810/106909
IUPAC Chemical Identifier (IChI): C47H46N4O14,1H3-20H2-63-38(56)42H-35(53)45H(34(52)23H2-41H(42)26-10H-16H-30(59H)32(18H-26)61-4H3)50-48-28-12H-6H-24(7H-13H-28)25-8H-14H-29(15H-9H-25)49-51-46H-36(54)43H(39(57)64-21H2-2H3)47H(44H(37(46)55)40(58)65-22H2-3H3)27-11H-17H-31(60H)33(19H-27)62-5H3
IUPAC/NIST Chemical Identifier (INChI): InChI=1S/C47H46N4O14/c1-6-63-45(58)37-30(26-13-19-31(52)34(21-26)61-4)23-33(54)40(42(37)55)50-48-28-15-9-24(10-16-28)25-11-17-29(18-12-25)49-51-41-43(56)38(46(59)64-7-2)36(39(44(41)57)47(60)65-8-3)27-14-20-32(53)35(22-27)62-5/h9-22,30,36-41,52-53H,6-8,23H2,1-5H3/b50-48+,51-49+/t30-,36-,37-,38+,39+,40-,41-/m0/s1
IUPAC/NIST Chemical Identifier Key (INChI): GKSMZYQFRZGONE-BXFWGQEISA-N