skip to main content

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 > applanatumol t
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbonyl compound > ketone > aromatic ketone > applanatumol t
... > 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 > applanatumol t
... > 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 > applanatumol t
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > applanatumol t

Preferred term

applanatumol t  

Type

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

Broader concept

charge

  • 0

formula

  • C16H18O7

inchi

  • InChI=1S/C16H18O7/c1-9(15(20)21)3-2-4-10(16(22)23)7-14(19)12-8-11(17)5-6-13(12)18/h3,5-6,8,10,17-18H,2,4,7H2,1H3,(H,20,21)(H,22,23)/b9-3+/t10-/m1/s1

inchikey

  • AXGVFLQALSABLQ-OTVCUZDGSA-N

mass

  • 322.313

monoisotopicmass

  • 322.10525

smiles

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

subset

  • 2_STAR

synonym EXACT

  • (E,6R)-6-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-2-methylhept-2-enedioic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:200577

Download this concept:

RDF/XML TURTLE JSON-LD