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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > sesquiterpenoid > ascochlorin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesquiterpenoid > ascochlorin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > phenols > benzenediols > resorcinols > ascochlorin
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > phenols > benzenediols > resorcinols > ascochlorin
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > organic hydroxy compound > phenols > benzenediols > resorcinols > ascochlorin
organic aromatic compound > phenols > benzenediols > resorcinols > ascochlorin
organochlorine compound > chlorobenzenes > monochlorobenzenes > ascochlorin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > olefinic compound > ascochlorin
... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexanones > ascochlorin
... > organooxygen compound > carbonyl compound > aldehyde > arenecarbaldehyde > benzaldehydes > dihydroxybenzaldehyde > ascochlorin
organic aromatic compound > arenecarbaldehyde > benzaldehydes > dihydroxybenzaldehyde > ascochlorin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > phenols > benzenediols > dihydroxybenzaldehyde > ascochlorin
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > phenols > benzenediols > dihydroxybenzaldehyde > ascochlorin
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > organic hydroxy compound > phenols > benzenediols > dihydroxybenzaldehyde > ascochlorin
organic aromatic compound > phenols > benzenediols > dihydroxybenzaldehyde > ascochlorin

Preferred term

ascochlorin  

Type

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

Broader concept

charge

  • 0

formula

  • C23H29ClO4

has_role

inchi

  • InChI=1S/C23H29ClO4/c1-13(10-11-23(5)14(2)7-9-19(26)16(23)4)6-8-17-21(27)18(12-25)15(3)20(24)22(17)28/h6,10-12,14,16,27-28H,7-9H2,1-5H3/b11-10+,13-6+/t14-,16+,23+/m1/s1

inchikey

  • SETVRSKZJJWOPA-FLDGXQSCSA-N

is_conjugate_acid_of

mass

  • 404.930

monoisotopicmass

  • 404.17544

smiles

  • C1(=C(C(=C(C(=C1Cl)C)C([H])=O)O)C/C=C(/C=C/[C@@]2([C@H](C(=O)CC[C@H]2C)C)C)/C)O

subset

  • 3_STAR

synonym EXACT

  • 3-chloro-4,6-dihydroxy-2-methyl-5-{(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dien-1-yl}benzaldehyde

synonym RELATED

  • antibiotic LL-Z1272 gamma
  • antibiotic LL-Z1272gamma
  • (-)-ascochlorin
  • ilicicolin D
  • LL-Z 1272 gamma

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:156219

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