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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 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 > aspergilate 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 > aspergilate 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 > aspergilate b
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > aspergilate b

Preferred term

aspergilate b  

Type

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

Broader concept

charge

  • 0

formula

  • C16H22O7

inchi

  • InChI=1S/C16H22O7/c1-5-23-12(8-13(21-3)16(20)22-4)14-11(18)7-6-10(9(2)17)15(14)19/h6-7,12-13,18-19H,5,8H2,1-4H3/t12-,13-/m1/s1

inchikey

  • CKUUCYLYLUWADU-CHWSQXEVSA-N

mass

  • 326.345

monoisotopicmass

  • 326.13655

smiles

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

subset

  • 2_STAR

synonym EXACT

  • methyl (2R,4R)-4-(3-acetyl-2,6-dihydroxyphenyl)-4-ethoxy-2-methoxybutanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:218268

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