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Chemistry, part 2

Content language

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Concept information

organooxygen compound > oxacycle > pestalotiopsin j
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > pestalotiopsin j
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > pestalotiopsin j
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > pestalotiopsin j

Preferred term

pestalotiopsin j  

Type

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

Broader concept

charge

  • 0

formula

  • C19H30O6

inchi

  • InChI=1S/C19H30O6/c1-10-7-13(22-5)16(21)15-12-9-18(3,4)19(12,25-17(15)23-6)14(8-10)24-11(2)20/h7,12-17,21H,8-9H2,1-6H3/b10-7+/t12-,13-,14+,15+,16+,17-,19-/m1/s1

inchikey

  • XMUCKWGYMWWWKP-HLHYQNRCSA-N

mass

  • 354.443

monoisotopicmass

  • 354.20424

smiles

  • O=C(O[C@@H]1[C@]23O[C@@H](OC)[C@@H]([C@H]2CC3(C)C)[C@@H](O)[C@@H](C=C(C1)C)OC)C

subset

  • 2_STAR

synonym EXACT

  • [(1S,2S,4E,6R,7R,8S,9R,13R)-7-hydroxy-6,13-dimethoxy-4,11,11-trimethyl-12-oxatricyclo[6.3.2.01,9]tridec-4-en-2-yl] acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:226834

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