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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > phenols > hydroxyanthraquinones > (5r,6r)-3-ethyl-1,5,6-trihydroxy-8-methoxy-5,6-dihydrobenzo[a]anthracene-7,12-dione
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenols > hydroxyanthraquinones > (5r,6r)-3-ethyl-1,5,6-trihydroxy-8-methoxy-5,6-dihydrobenzo[a]anthracene-7,12-dione
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenols > hydroxyanthraquinones > (5r,6r)-3-ethyl-1,5,6-trihydroxy-8-methoxy-5,6-dihydrobenzo[a]anthracene-7,12-dione
... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > quinone > acenoquinone > anthraquinone > hydroxyanthraquinones > (5r,6r)-3-ethyl-1,5,6-trihydroxy-8-methoxy-5,6-dihydrobenzo[a]anthracene-7,12-dione
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > quinone > acenoquinone > anthraquinone > hydroxyanthraquinones > (5r,6r)-3-ethyl-1,5,6-trihydroxy-8-methoxy-5,6-dihydrobenzo[a]anthracene-7,12-dione

Preferred term

(5r,6r)-3-ethyl-1,5,6-trihydroxy-8-methoxy-5,6-dihydrobenzo[a]anthracene-7,12-dione  

Type

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

Broader concept

charge

  • 0

formula

  • C21H18O6

inchi

  • InChI=1S/C21H18O6/c1-3-9-7-11-14(12(22)8-9)16-17(21(26)19(11)24)20(25)15-10(18(16)23)5-4-6-13(15)27-2/h4-8,19,21-22,24,26H,3H2,1-2H3/t19-,21-/m1/s1

inchikey

  • REHQZAPLPBWRNN-TZIWHRDSSA-N

mass

  • 366.369

monoisotopicmass

  • 366.11034

smiles

  • O=C1C=2C3=C(O)C=C(CC)C=C3[C@@H](O)[C@@H](C2C(=O)C4=C1C=CC=C4OC)O

subset

  • 2_STAR

synonym EXACT

  • (5R,6R)-3-ethyl-1,5,6-trihydroxy-8-methoxy-5,6-dihydrobenzo[a]anthracene-7,12-dione

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:202437

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