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

Preferred term

pleosporalone e  

Type

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

Broader concept

charge

  • 0

formula

  • C22H26O9

inchi

  • InChI=1S/C22H26O9/c1-11-4-13(23)6-16(24)18(11)20(26)31-19-15-10-30-22(8-14(28-3)9-29-22)7-12(15)5-17(25)21(19,2)27/h4-6,14-15,19,23-24,27H,7-10H2,1-3H3/t14-,15+,19-,21+,22+/m0/s1

inchikey

  • CLDAFARNIIPXFB-XAKYZHLCSA-N

mass

  • 434.441

monoisotopicmass

  • 434.15768

smiles

  • O=C1C=C2[C@@H](CO[C@@]3(C2)OC[C@H](C3)OC)[C@@H]([C@@]1(O)C)OC(=O)C4=C(O)C=C(O)C=C4C

subset

  • 2_STAR

synonym EXACT

  • [(3S,4'S,7S,8S,8aS)-7-hydroxy-4'-methoxy-7-methyl-6-oxospiro[1,4,8,8a-tetrahydroisochromene-3,2'-oxolane]-8-yl] 2,4-dihydroxy-6-methylbenzoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:223011

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