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Chemistry, part 2

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Concept information

... > organooxygen compound > carbonyl compound > ketone > aromatic ketone > benzophenones > penibenzone a
... > 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 > ketone > aromatic ketone > benzophenones > penibenzone a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > benzophenones > penibenzone a

Preferred term

penibenzone a  

Type

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

Broader concept

charge

  • 0

formula

  • C23H26O7

inchi

  • InChI=1S/C23H26O7/c1-12(2)8-19(30-14(4)25)16-6-7-17(26)21(23(16)29-5)22(28)20-15(11-24)9-13(3)10-18(20)27/h6-7,9-12,19,26-27H,8H2,1-5H3/t19-/m0/s1

inchikey

  • YFAAXYFTAMLVMS-IBGZPJMESA-N

mass

  • 414.454

monoisotopicmass

  • 414.16785

smiles

  • O=C(C1=C(OC)C(=CC=C1O)[C@@H](OC(=O)C)CC(C)C)C2=C(O)C=C(C)C=C2C=O

subset

  • 2_STAR

synonym EXACT

  • [1-[3-(2-ormyl-6-hydroxy-4-methylbenzoyl)-4-hydroxy-2-methoxyphenyl]-3-methylbutyl] acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:205928

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