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Chemistry, part 2

Content language

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Concept information

organooxygen compound > carbonyl compound > ketone > aromatic ketone > torrubiellone a, (cis)-
... > 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, (cis)-
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > torrubiellone a, (cis)-

Preferred term

torrubiellone a, (cis)-  

Type

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

Broader concept

charge

  • 0

formula

  • C22H29NO7

has_role

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+

inchikey

  • WXLPIUFTKBWEGE-ZSBVLOQZSA-N

mass

  • 419.46820

monoisotopicmass

  • 419.19440

smiles

  • CCC(CO)/C=C/C=C/C=C/C(=O)c1c(O)c(cn(O)c1=O)[C@@]1(O)CC[C@H](O)CC1

subset

  • 2_STAR

synonym RELATED

  • cis-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:70286

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