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Chemistry, part 3

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > oxygen molecular entity > organooxygen compound > carbonyl compound > ketone > aromatic ketone > pyrenochaetic acid b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbonyl compound > ketone > aromatic ketone > pyrenochaetic acid b
... > 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 > ketone > aromatic ketone > pyrenochaetic acid b
... > 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 > pyrenochaetic acid b
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > pyrenochaetic acid b

Preferred term

pyrenochaetic acid b  

Type

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

Broader concept

charge

  • 0

formula

  • C13H16O5

inchi

  • InChI=1S/C13H16O5/c1-7-4-9(13(16)17)6-11(18-3)12(7)10(15)5-8(2)14/h4,6,8,14H,5H2,1-3H3,(H,16,17)/t8-/m0/s1

inchikey

  • ISUCSLSQOIOUHP-QMMMGPOBSA-N

mass

  • 252.266

monoisotopicmass

  • 252.09977

smiles

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

subset

  • 2_STAR

synonym EXACT

  • 4-(3-hydroxybutanoyl)-3-methoxy-5-methylbenzoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:206717

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