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Concept information

organooxygen compound > arisugacin h

Preferred term

arisugacin h  

Type

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

charge

  • 0

formula

  • C29H36O9

inchi

  • InChI=1S/C29H36O9/c1-16(30)36-23-14-22(31)27(5)28(33,25(23,2)3)12-11-26(4)29(27,34)15-19-21(38-26)13-20(37-24(19)32)17-7-9-18(35-6)10-8-17/h7-10,13,22-23,31,33-34H,11-12,14-15H2,1-6H3/t22-,23+,26+,27-,28+,29+/m0/s1

inchikey

  • IEHWJHMZQDRWLL-SAQJKEKHSA-N

mass

  • 528.598

monoisotopicmass

  • 528.23593

smiles

  • O=C1OC(C2=CC=C(OC)C=C2)=CC3=C1C[C@]4(O)[C@@]5([C@](O)(C([C@H](OC(=O)C)C[C@@H]5O)(C)C)CC[C@]4(O3)C)C

subset

  • 2_STAR

synonym EXACT

  • [(1S,2S,3S,5R,7R,10R)-1,3,7-trihydroxy-14-(4-methoxyphenyl)-2,6,6,10-tetramethyl-16-oxo-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-dien-5-yl] acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:201937

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