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Chemistry, part 2

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Concept information

organooxygen compound > ether > aromatic ether > simplicildone c
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > aromatic ether > simplicildone c
... > 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 aromatic compound > aromatic ether > simplicildone c
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > aromatic ether > simplicildone c

Preferred term

simplicildone c  

Type

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

Broader concept

charge

  • 0

formula

  • C20H20O6

inchi

  • InChI=1S/C20H20O6/c1-9-7-14-12(8-23-20(4,5)26-14)18-15(9)19(22)25-17-11(3)13(21)6-10(2)16(17)24-18/h6-7,21H,8H2,1-5H3

inchikey

  • XOGWIERIESLULB-UHFFFAOYSA-N

mass

  • 356.374

monoisotopicmass

  • 356.12599

smiles

  • O=C1OC2=C(C(=CC(=C2C)O)C)OC3=C1C(=CC4=C3COC(O4)(C)C)C

subset

  • 2_STAR

synonym EXACT

  • 10-hydroxy-3,3,6,9,12-pentamethyl-1H-[1,3]benzodioxino[6,5-c][1,5]benzodioxepin-7-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:215208

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