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Chemistry, part 2

Content language

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Concept information

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

Preferred term

pestalotheol i  

Type

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

Broader concept

charge

  • 0

formula

  • C16H24O5

inchi

  • InChI=1S/C16H24O5/c1-9(2)5-11(17)10-6-12(18)16(20)8-14(15(3,4)19)21-13(16)7-10/h5-6,12-14,18-20H,7-8H2,1-4H3/t12-,13-,14+,16+/m0/s1

inchikey

  • VLKFKGJJMGLYDL-TTZDDIAXSA-N

mass

  • 296.363

monoisotopicmass

  • 296.16237

smiles

  • O=C(C1=C[C@H](O)[C@]2(O)C[C@@H](O[C@H]2C1)C(O)(C)C)C=C(C)C

subset

  • 2_STAR

synonym EXACT

  • 1-[(2R,3aR,4S,7aS)-3a,4-dihydroxy-2-(2-hydroxypropan-2-yl)-3,4,7,7a-tetrahydro-2H-1-benzouran-6-yl]-3-methylbut-2-en-1-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:209766

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