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Chemistry, part 2

Content language

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Concept information

organooxygen compound > oxacycle > pyrans > pyranone > pestalotheol e
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > pyrans > pyranone > pestalotheol e
... > 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 > pyrans > pyranone > pestalotheol e
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > pyrans > pyranone > pestalotheol e
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > pyrans > pyranone > pestalotheol e
... > 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 heteromonocyclic compound > pyrans > pyranone > pestalotheol e
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > pyrans > pyranone > pestalotheol e

Preferred term

pestalotheol e  

Type

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

Broader concept

charge

  • 0

formula

  • C17H26O4

inchi

  • InChI=1S/C17H26O4/c1-16(2)8-12(18)14-13(21-16)6-9-5-10(17(3,4)20)7-11(9)15(14)19/h9-11,15,19-20H,5-8H2,1-4H3/t9-,10-,11+,15+/m0/s1

inchikey

  • KPAAKVUQSIYCFB-KIGUWFBYSA-N

mass

  • 294.391

monoisotopicmass

  • 294.18311

smiles

  • O=C1C2=C(OC(C1)(C)C)C[C@@H]3C[C@@H](C[C@H]3[C@H]2O)C(O)(C)C

subset

  • 2_STAR

synonym EXACT

  • (5R,5aR,7S,8aS)-5-hydroxy-7-(2-hydroxypropan-2-yl)-2,2-dimethyl-3,5,5a,6,7,8,8a,9-octahydrocyclopenta[g]chromen-4-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:208667

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