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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > monoterpenoid > stachybotrin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > monoterpenoid > stachybotrin a

Preferred term

stachybotrin a  

Type

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

Broader concept

charge

  • 0

formula

  • C23H31NO5

inchi

  • InChI=1S/C23H31NO5/c1-14(2)6-4-7-15(13-25)8-5-9-23(3)20(27)11-17-19(26)10-16-18(21(17)29-23)12-24-22(16)28/h6,8,10,20,25-27H,4-5,7,9,11-13H2,1-3H3,(H,24,28)/b15-8+/t20-,23-/m0/s1

inchikey

  • ZVZKOARXMVUPBB-KWOFNGTCSA-N

mass

  • 401.503

monoisotopicmass

  • 401.22022

smiles

  • O=C1NCC2=C1C=C(O)C3=C2O[C@]([C@@H](O)C3)(CC/C=C(/CO)/CCC=C(C)C)C

subset

  • 2_STAR

synonym EXACT

  • (2S,3S)-3,5-dihydroxy-2-[(3E)-4-(hydroxymethyl)-8-methylnona-3,7-dienyl]-2-methyl-3,4,8,9-tetrahydropyrano[2,3-e]isoindol-7-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:197746

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