NSC287461
dc.creator | US National Cancer Institute | en_GB |
dc.date.accessioned | 2006-05-02T14:26:56Z | |
dc.date.available | 2006-05-02T14:26:56Z | |
dc.date.created | 2003-02-01 | en_GB |
dc.date.issued | 2006-05-02T14:26:56Z | |
dc.identifier | NSC287461 | en_GB |
dc.identifier.uri | http://www.dspace.cam.ac.uk/handle/1810/159359 | |
dc.format.extent | 22843 bytes | |
dc.format.mimetype | chemical/x-cml | |
dc.language.iso | en_GB | |
dc.publisher | Unilever Center for Molecular Informatics, Cambridge University | en_GB |
dc.title | NSC287461 | en_GB |
dc.title.alternative | Echinocandin B | en_GB |
dc.title.alternative | ECHINOCANDIN B | en_GB |
dc.type | Chemical Structures | en_GB |
dc.identifier.inchikey | FAUOJMHVEYMQQG-NEPZLEPRSA-N | |
dc.identifier.inchi | InChI=1S/C52H81N7O16/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-38(65)53-35-26-37(64)48(71)57-50(73)42-43(66)29(2)27-59(42)52(75)40(31(4)61)55-49(72)41(45(68)44(67)32-21-23-33(62)24-22-32)56-47(70)36-25-34(63)28-58(36)51(74)39(30(3)60)54-46(35)69/h9-10,12-13,21-24,29-31,34-37,39-45,48,60-64,66-68,71H,5-8,11,14-20,25-28H2,1-4H3,(H,53,65)(H,54,69)(H,55,72)(H,56,70)(H,57,73)/b10-9+,13-12+/t29-,30-,31-,34-,35+,36+,37+,39+,40-,41+,42-,43-,44-,45+,48+/m0/s1 | |
dc.identifier.ichi | C52H81N7O16,1H3-13H2-17H2-18H2-15H2-7H-5H-14H2-6H-8H-16H2-19H2-20H2-21H2-22H2-23H2-24H2-31(60)53H-42H-26H2-44H(71H)52H(75H)57H-35(64)48H-50H(73H)38H(2H3)27H2-59(48)37(66)47H(40H(4H3)69H)56H-34(63)45H(51H(74H)49H(72H)29-9H-11H-30(67H)12H-10H-29)55H-33(62)43H-25H2-41H(70H)28H2-58(43)36(65)46H(39H(3H3)68H)54H-32(42)61 | en_GB |
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