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Chemistry, part 2

Content language

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Concept information

organooxygen compound > oxacycle > benzofurans > pestalotheol l
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > benzofurans > pestalotheol l
... > 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 > benzofurans > pestalotheol l
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > benzofurans > pestalotheol l
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > benzofurans > pestalotheol l
... > 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 > organic heteropolycyclic compound > benzofurans > pestalotheol l
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > benzofurans > pestalotheol l

Preferred term

pestalotheol l  

Type

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

Broader concept

charge

  • 0

formula

  • C16H22O5

inchi

  • InChI=1S/C16H22O5/c1-9(2)5-6-10-7-11-16(20,14(18)13(10)17)8-12(21-11)15(3,4)19/h7,11-14,17-20H,1,8H2,2-4H3/t11-,12+,13+,14+,16+/m0/s1

inchikey

  • FPTQEPFJCZGRIH-UTHRFFRBSA-N

mass

  • 294.347

monoisotopicmass

  • 294.14672

smiles

  • O1[C@H]2C=C(C#CC(=C)C)[C@@H](O)[C@H]([C@@]2(O)C[C@@H]1C(O)(C)C)O

subset

  • 2_STAR

synonym EXACT

  • (2R,3aS,4R,5R,7aS)-2-(2-hydroxypropan-2-yl)-6-(3-methylbut-3-en-1-ynyl)-3,4,5,7a-tetrahydro-2H-1-benzouran-3a,4,5-triol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:209808

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