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

Preferred term

simplicildone e  

Type

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

Broader concept

charge

  • 0

formula

  • C25H24O7

inchi

  • InChI=1S/C25H24O7/c1-11-6-15(26)9-20(30-5)16(11)10-17-19(28)7-12(2)21-24(17)31-22-13(3)8-18(27)14(4)23(22)32-25(21)29/h6-9,26-28H,10H2,1-5H3

inchikey

  • CBJOKDWXABRKTI-UHFFFAOYSA-N

mass

  • 436.460

monoisotopicmass

  • 436.15220

smiles

  • O=C1OC2=C(C(=CC(=C2C)O)C)OC3=C1C(=CC(=C3CC4=C(OC)C=C(O)C=C4C)O)C

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:215220

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