skip to main content

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

organooxygen compound > oxacycle > naphthofuran > oxopropylisoherqueinone a

Preferred term

oxopropylisoherqueinone a  

Type

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

Broader concept

charge

  • 0

formula

  • C22H22O8

inchi

  • InChI=1S/C22H22O8/c1-8-6-11(24)13-14-12(8)19-22(29,20(4,5)10(3)30-19)18(27)15(14)17(26)21(28,16(13)25)7-9(2)23/h6,10,24,28-29H,7H2,1-5H3/t10-,21+,22+/m1/s1

inchikey

  • JTTZHLULDJWTKM-ZOYAPWFGSA-N

mass

  • 414.410

monoisotopicmass

  • 414.13147

smiles

  • O=C1C=2C3=C(C(=O)[C@@]4(O)C(C)(C)[C@H](OC4=C3C(C)=CC2O)C)C([C@]1(O)CC(=O)C)=O

subset

  • 2_STAR

synonym EXACT

  • (5S,7aR,9R)-3,5,7a-trihydroxy-1,8,8,9-tetramethyl-5-(2-oxopropyl)-9H-phenaleno[1,2-b]uran-4,6,7-trione

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:218708

Download this concept: