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Contact us: CRM@email.irandoc.ac.ir

Concept information

Preferred term

doramectin aglycone  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C36H50O8

inchi

  • InChI=1S/C36H50O8/c1-21-9-8-12-26-20-41-33-31(38)24(4)17-29(36(26,33)40)34(39)42-28-18-27(14-13-22(2)30(21)37)43-35(19-28)16-15-23(3)32(44-35)25-10-6-5-7-11-25/h8-9,12-13,15-17,21,23,25,27-33,37-38,40H,5-7,10-11,14,18-20H2,1-4H3

inchikey

  • SHRUSRJMZSPNGG-UHFFFAOYSA-N

mass

  • 610.788

monoisotopicmass

  • 610.35057

smiles

  • O=C1OC2CC3(OC(C4CCCCC4)C(C)C=C3)OC(C2)CC=C(C(O)C(C=CC=C5C6(C1C=C(C(O)C6OC5)C)O)C)C

subset

  • 2_STAR

synonym EXACT

  • (1'R,2R,3S,4'S,6S,8'R,10'Z,12'S,13'S,14'Z,20'R,21'R,24'S)-2-cyclohexyl-12',21',24'-trihydroxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:201520

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