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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 > ketone > aromatic ketone > torrubiellone a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbonyl compound > ketone > aromatic ketone > torrubiellone 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 > ketone > aromatic ketone > torrubiellone 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 > ketone > aromatic ketone > torrubiellone a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > torrubiellone a

Preferred term

torrubiellone a  

Type

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

Broader concept

charge

  • 0

formula

  • C22H29NO7

inchi

  • InChI=1S/C22H29NO7/c1-2-15(14-24)7-5-3-4-6-8-18(26)19-20(27)17(13-23(30)21(19)28)22(29)11-9-16(25)10-12-22/h3-8,13,15-16,24-25,27,29-30H,2,9-12,14H2,1H3/b4-3+,7-5+,8-6+/t15-,16?,22?/m1/s1

inchikey

  • WXLPIUFTKBWEGE-LIKPLYNBSA-N

mass

  • 419.474

monoisotopicmass

  • 419.19440

smiles

  • O=C1N(O)C=C(C2(O)CCC(O)CC2)C(=C1C(=O)/C=C/C=C/C=C/[C@H](CO)CC)O

subset

  • 2_STAR

synonym EXACT

  • 5-(1,4-dihydroxycyclohexyl)-1,4-dihydroxy-3-[(2E,4E,6E)-8-(hydroxymethyl)deca-2,4,6-trienoyl]pyridin-2-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:205570

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