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Chemistry, part 2

Content language

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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heteropentacyclic compound > alisiaquinone a
... > 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 heteropolycyclic compound > organic heteropentacyclic compound > alisiaquinone a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heteropentacyclic compound > alisiaquinone a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > alcohol > hemiacetal > lactol > cyclic hemiketal > alisiaquinone a
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > hemiacetal > lactol > cyclic hemiketal > alisiaquinone a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > alcohol > hemiacetal > hemiketal > cyclic hemiketal > alisiaquinone a
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > hemiacetal > hemiketal > cyclic hemiketal > alisiaquinone a

Preferred term

alisiaquinone a  

Type

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

Broader concept

charge

  • 0

formula

  • C21H20O5

has_functional_parent

has_role

inchi

  • InChI=1S/C21H20O5/c1-19-6-3-7-20(2)14-9-12-11(15(22)4-5-16(12)23)8-13(14)17(24)21(25,18(19)20)26-10-19/h4-5,8-9,18,25H,3,6-7,10H2,1-2H3/t18-,19-,20-,21+/m1/s1

inchikey

  • HKHLFNJYCWZXPO-NCYKPQTJSA-N

mass

  • 352.38050

monoisotopicmass

  • 352.13107

smiles

  • [H][C@@]12[C@]3(C)CCC[C@]1(C)c1cc4C(=O)C=CC(=O)c4cc1C(=O)[C@]2(O)OC3

subset

  • 3_STAR

synonym EXACT

  • (3aS,5aR,12bS,12cS)-5a-hydroxy-3a,12b-dimethyl-2,3,3a,4,12b,12c-hexahydro-1H-tetrapheno[5,4-bc]furan-6,8,11(5aH)-trione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:65382

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