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

Concept information

Preferred term

19 دقیقه هگزانویلوکسی میتیلوکسانتین  

Type

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

Broader concept

charge

  • 0

formula

  • C46H64O6

inchi

  • InChI=1S/C46H64O6/c1-11-12-13-24-43(50)52-32-38(25-26-41-36(5)27-39(47)29-44(41,7)8)23-17-21-34(3)19-15-14-18-33(2)20-16-22-35(4)42(49)31-46(51)37(6)28-40(48)30-45(46,9)10/h14-23,37,39,47,51H,11-13,24,27-32H2,1-10H3/b15-14+,20-16-,21-17-,33-18+,34-19-,35-22+,38-23+

inchikey

  • LIBOJHYHDLWKKI-ZOKYUFNTSA-N

mass

  • 713.012

monoisotopicmass

  • 712.47029

smiles

  • OC1(C(CC(=O)CC1C)(C)C)CC(=O)/C(/C)=C/C=C/C(/C)=C/C=C/C=C(/C=C/C=C(/C#CC=2C(CC(O)CC2C)(C)C)/COC(=O)CCCCC)/C

subset

  • 2_STAR

synonym EXACT

  • [(2E,4Z,6Z,8E,10E,12Z,14E)-2-[2-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)ethynyl]-17-(1-hydroxy-2,2,6-trimethyl-4-oxocyclohexyl)-6,11,15-trimethyl-16-oxoheptadeca-2,4,6,8,10,12,14-heptaenyl] hexanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:172805

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