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Chemistry, part 2

Content language

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Concept information

organooxygen compound > ether > aromatic ether > dehydrocollatolic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > aromatic ether > dehydrocollatolic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic aromatic compound > aromatic ether > dehydrocollatolic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > aromatic ether > dehydrocollatolic acid

Preferred term

dehydrocollatolic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C29H32O9

inchi

  • InChI=1S/C29H32O9/c1-4-5-6-9-18(30)11-17-12-19(34-3)13-22-24(17)27(32)36-23-14-21(31)25-20(26(23)35-22)15-29(38-28(25)33)10-7-8-16(2)37-29/h12-14,16,31H,4-11,15H2,1-3H3

inchikey

  • GSGHMIHDUZPOKX-UHFFFAOYSA-N

mass

  • 524.566

monoisotopicmass

  • 524.20463

smiles

  • O=C1OC2=C(C3=C(C(=O)OC4(C3)OC(CCC4)C)C(=C2)O)OC5=C1C(=CC(=C5)OC)CC(=O)CCCCC

subset

  • 2_STAR

synonym EXACT

  • 5-hydroxy-11-methoxy-6'-methyl-9-(2-oxoheptyl)spiro[1H-isochromeno[5,6-b][1,4]benzodioxepine-2,2'-oxane]-4,8-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:204728

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