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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 > organic hydroxy compound > alcohol > tertiary alcohol > ophiobolin a
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > tertiary alcohol > ophiobolin a
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > organic hydroxy compound > alcohol > tertiary alcohol > ophiobolin a
organooxygen compound > carbonyl compound > ketone > cyclic ketone > ophiobolin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > olefinic compound > enal > ophiobolin a
... > organooxygen compound > carbonyl compound > aldehyde > alpha,beta-unsaturated aldehyde > enal > ophiobolin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > sesterterpenoid > ophiobolin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesterterpenoid > ophiobolin a

Preferred term

ophiobolin a  

Type

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

Broader concept

charge

  • 0

formula

  • C25H36O4

has_parent_hydride

inchi

  • InChI=1S/C25H36O4/c1-15(2)10-18-11-16(3)25(29-18)9-8-23(4)12-19-22(20(27)13-24(19,5)28)17(14-26)6-7-21(23)25/h6,10,14,16,18-19,21-22,28H,7-9,11-13H2,1-5H3/b17-6-/t16-,18-,19-,21+,22+,23+,24+,25-/m0/s1

inchikey

  • MWYYLZRWWNBROW-BDZRSQQBSA-N

mass

  • 400.55094

monoisotopicmass

  • 400.26136

smiles

  • [H][C@@]1(C[C@H](C)[C@]2(CC[C@]3(C)C[C@@]4([H])[C@]([H])(C(=O)C[C@@]4(C)O)/C(C=O)=C/C[C@@]23[H])O1)C=C(C)C

subset

  • 3_STAR

synonym EXACT

  • (18R)-3-hydroxy-5-oxo-14,18-epoxyophiobola-7,19-dien-25-al
  • ophiobolin A
  • Ophiobolin A

synonym RELATED

  • (18R)-14,18-epoxy-3-hydroxy-5-oxoophiobola-7,19-dien-25-al
  • cochliobolin
  • cochliobolin A
  • ophiobolin

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:7777

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