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Chemistry, part 3

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > oxygen molecular entity > organooxygen compound > carbonyl compound > simplicildone i
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbonyl compound > simplicildone i
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organochalcogen compound > organooxygen compound > carbonyl compound > simplicildone i
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > simplicildone i
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > simplicildone i

Preferred term

simplicildone i  

Type

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

Broader concept

charge

  • 0

formula

  • C31H28O8

inchi

  • InChI=1S/C31H28O8/c1-14-6-19(32)12-20(7-14)37-26-9-15(2)8-24(34)21(26)13-22-25(35)10-16(3)27-30(22)38-28-17(4)11-23(33)18(5)29(28)39-31(27)36/h6-12,32-35H,13H2,1-5H3

inchikey

  • UYXDVUJTNGMVJT-UHFFFAOYSA-N

mass

  • 528.557

monoisotopicmass

  • 528.17842

smiles

  • O=C1OC2=C(C(=CC(=C2C)O)C)OC3=C1C(=CC(=C3CC4=C(OC5=CC(O)=CC(=C5)C)C=C(C)C=C4O)O)C

subset

  • 2_STAR

synonym EXACT

  • 3,9-dihydroxy-10-[[2-hydroxy-6-(3-hydroxy-5-methylphenoxy)-4-methylphenyl]methyl]-1,4,7-trimethylbenzo[b][1,4]benzodioxepin-6-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:215191

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