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

Preferred term

simplicildone h  

Type

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

Broader concept

charge

  • 0

formula

  • C34H30O11

inchi

  • InChI=1S/C34H30O11/c1-13-7-23(37)19(31-25(13)33(39)44-29-17(5)21(35)9-15(3)27(29)42-31)11-41-12-20-24(38)8-14(2)26-32(20)43-28-16(4)10-22(36)18(6)30(28)45-34(26)40/h7-10,35-38H,11-12H2,1-6H3

inchikey

  • CTCUQIRJRPJRDU-UHFFFAOYSA-N

mass

  • 614.603

monoisotopicmass

  • 614.17881

smiles

  • O=C1OC2=C(C(=CC(=C2C)O)C)OC3=C1C(=CC(=C3COCC4=C5OC6=C(C(=C(O)C=C6C)C)OC(C5=C(C)C=C4O)=O)O)C

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:215232

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