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Chemistry, part 2

Content language

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Concept information

... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > colletofragarone a2
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > colletofragarone a2
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > colletofragarone a2

Preferred term

colletofragarone a2  

Type

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

Broader concept

charge

  • 0

formula

  • C22H26O6

inchi

  • InChI=1S/C22H26O6/c1-3-4-5-6-7-8-17-21-20-18(28-17)10-9-15(24)19(20)16(25)12-14(23)11-13(2)27-22(21)26/h3-10,13-14,16,18-20,23,25H,11-12H2,1-2H3/b4-3+,6-5+,8-7+/t13?,14?,16?,18-,19-,20-/m0/s1

inchikey

  • PSMAZPOSNHLCII-IFFOLWIDSA-N

mass

  • 386.444

monoisotopicmass

  • 386.17294

smiles

  • O=C1OC(CC(O)CC([C@H]2[C@H]3C1=C(O[C@H]3C=CC2=O)/C=C/C=C/C=C/C)O)C

subset

  • 2_STAR

synonym EXACT

  • (1R,12S,16S)-10-[(1E,3E,5E)-hepta-1,3,5-trienyl]-2,4-dihydroxy-6-methyl-7,11-dioxatricyclo[7.6.1.012,16]hexadeca-9,13-diene-8,15-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:207651

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