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Chemistry, part 1

Content language

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Concept information

organooxygen compound > ester > carboxylic ester > carbonate ester > aspergillusol b
organooxygen compound > carbonyl compound > carboxylic ester > carbonate ester > aspergillusol b
organooxygen compound > carbonates > carbonate ester > aspergillusol b

Preferred term

aspergillusol b  

Type

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

Broader concept

charge

  • 0

formula

  • C12H12O5

inchi

  • InChI=1S/C12H12O5/c1-6(2)3-4-7-5-8-11(10(14)9(7)13)17-12(15)16-8/h5,8-11,13-14H,1H2,2H3/t8-,9+,10-,11-/m1/s1

inchikey

  • OFNHXQSEJLXFQB-LMLFDSFASA-N

mass

  • 236.223

monoisotopicmass

  • 236.06847

smiles

  • O=C1O[C@@H]2C=C(C#CC(=C)C)[C@@H]([C@H]([C@@H]2O1)O)O

subset

  • 2_STAR

synonym EXACT

  • (3aS,4R,5S,7aR)-4,5-dihydroxy-6-(3-methylbut-3-en-1-ynyl)-3a,4,5,7a-tetrahydro-1,3-benzodioxol-2-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:216397

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