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

Preferred term

aspergilate a  

Type

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

Broader concept

charge

  • 0

formula

  • C19H26O9

inchi

  • InChI=1S/C19H26O9/c1-10(18(23)26-4)9-28-14(8-15(25-3)19(24)27-5)16-13(21)7-6-12(11(2)20)17(16)22/h6-7,10,14-15,21-22H,8-9H2,1-5H3

inchikey

  • PGDARPVUKDKJIG-UHFFFAOYSA-N

mass

  • 398.408

monoisotopicmass

  • 398.15768

smiles

  • O=C(OC)C(OC)CC(OCC(C(=O)OC)C)C1=C(O)C(C(=O)C)=CC=C1O

subset

  • 2_STAR

synonym EXACT

  • methyl 4-(3-acetyl-2,6-dihydroxyphenyl)-2-methoxy-4-(3-methoxy-2-methyl-3-oxopropoxy)butanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:218262

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