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Chemistry, part 1

Content language

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Concept information

... > organooxygen compound > ester > carboxylic ester > benzoate ester > 4-hydroxybenzoate ester > pleosporalone g/h
... > organooxygen compound > carbonyl compound > carboxylic ester > benzoate ester > 4-hydroxybenzoate ester > pleosporalone g/h
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > phenols > 4-hydroxybenzoate ester > pleosporalone g/h
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > phenols > 4-hydroxybenzoate ester > pleosporalone g/h
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > organic hydroxy compound > phenols > 4-hydroxybenzoate ester > pleosporalone g/h
organic aromatic compound > phenols > 4-hydroxybenzoate ester > pleosporalone g/h

Preferred term

pleosporalone g/h  

Type

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

Broader concept

charge

  • 0

formula

  • C23H30O8

inchi

  • InChI=1S/C23H30O8/c1-5-15(29-4)10-16-7-13-8-19(26)23(3,28)21(17(13)11-30-16)31-22(27)20-12(2)6-14(24)9-18(20)25/h6,8-9,15-17,21,24-25,28H,5,7,10-11H2,1-4H3/t15?,16?,17-,21+,23-/m1/s1

inchikey

  • HVSHYHSSAQMWQE-BSAVFEBESA-N

mass

  • 434.485

monoisotopicmass

  • 434.19407

smiles

  • O=C1C=C2[C@@H](COC(C2)CC(OC)CC)[C@@H]([C@@]1(O)C)OC(=O)C3=C(O)C=C(O)C=C3C

subset

  • 2_STAR

synonym EXACT

  • [(7S,8S,8aS)-7-hydroxy-3-(2-methoxybutyl)-7-methyl-6-oxo-3,4,8,8a-tetrahydro-1H-isochromen-8-yl] 2,4-dihydroxy-6-methylbenzoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:223022

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