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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 > azaphilone > purpurquinone d
... > 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 > azaphilone > purpurquinone d
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > azaphilone > purpurquinone d

Preferred term

purpurquinone d  

Type

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

Broader concept

charge

  • 0

formula

  • C21H18O10

inchi

  • InChI=1S/C21H18O10/c1-10-5-12(22)8-14(23)17(10)18(27)31-20(2)15(24)7-11-6-13(3-4-16(25)26)30-9-21(11,29)19(20)28/h3-8,22-23,29H,9H2,1-2H3,(H,25,26)/t20-,21-/m1/s1

inchikey

  • LWCGOZWCCPTHDS-NHCUHLMSSA-N

mass

  • 430.365

monoisotopicmass

  • 430.09000

smiles

  • O=C1C=C2C=C(OC[C@]2(O)C([C@@]1(OC(=O)C3=C(O)C=C(O)C=C3C)C)=O)C=CC(=O)O

subset

  • 2_STAR

synonym EXACT

  • 3-[(7R,8aS)-7-(2,4-dihydroxy-6-methylbenzoyl)oxy-8a-hydroxy-7-methyl-6,8-dioxo-1H-isochromen-3-yl]prop-2-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:200401

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