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Chemistry, part 3

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > oxygen molecular entity > organooxygen compound > acetal > ketal > 7-deoxybotrylactone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > acetal > ketal > 7-deoxybotrylactone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organochalcogen compound > organooxygen compound > acetal > ketal > 7-deoxybotrylactone

Preferred term

7-deoxybotrylactone  

Type

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

Broader concept

charge

  • 0

formula

  • C14H22O4

inchi

  • InChI=1S/C14H22O4/c1-8-6-12(3)10-9(2)11(15)17-14(5,16-10)13(4,7-8)18-12/h8-10H,6-7H2,1-5H3/t8-,9+,10-,12-,13+,14+/m0/s1

inchikey

  • VKWTYPKGZHWHNM-KIFSPZJUSA-N

mass

  • 254.326

monoisotopicmass

  • 254.15181

smiles

  • O=C1O[C@]2(O[C@@H]([C@H]1C)[C@@]3(C[C@@H](C[C@]2(O3)C)C)C)C

subset

  • 2_STAR

synonym EXACT

  • (1R,2R,5R,6S,7S,9S)-1,2,5,7,9-pentamethyl-3,11,12-trioxatricyclo[5.3.1.12,6]dodecan-4-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:212310

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