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Chemistry, part 3

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > oxygen molecular entity > organooxygen compound > carbonyl compound > simplicildone a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbonyl compound > simplicildone a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organochalcogen compound > organooxygen compound > carbonyl compound > simplicildone a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > simplicildone a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > simplicildone a

Preferred term

simplicildone a  

Type

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

Broader concept

charge

  • 0

formula

  • C18H18O6

inchi

  • InChI=1S/C18H18O6/c1-8-5-13(20)11(7-22-4)17-14(8)18(21)24-16-10(3)12(19)6-9(2)15(16)23-17/h5-6,19-20H,7H2,1-4H3

inchikey

  • DRJYIIBSTODYSV-UHFFFAOYSA-N

mass

  • 330.336

monoisotopicmass

  • 330.11034

smiles

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

subset

  • 2_STAR

synonym EXACT

  • 3,9-dihydroxy-10-(methoxymethyl)-1,4,7-trimethylbenzo[b][1,4]benzodioxepin-6-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:210057

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