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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 > sesquiterpenoid > pestynol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesquiterpenoid > pestynol

Preferred term

pestynol  

Type

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

Broader concept

charge

  • 0

formula

  • C21H30O4

inchi

  • InChI=1S/C21H30O4/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-17-13-18(22)20(24)21(25)19(17)23/h7,9,13,18-25H,4-6,8,10H2,1-3H3/b15-9+/t18-,19-,20-,21-/m1/s1

inchikey

  • CADYTUXNRNXAES-NYJGJKORSA-N

mass

  • 346.467

monoisotopicmass

  • 346.21441

smiles

  • O[C@@H]1C(C#CC(=C)CC/C=C(/CCC=C(C)C)/C)=C[C@@H](O)[C@H]([C@@H]1O)O

subset

  • 2_STAR

synonym EXACT

  • (1R,2R,3R,4R)-5-[(6E)-7,11-dimethyl-3-methylidenedodeca-6,10-dien-1-ynyl]cyclohex-5-ene-1,2,3,4-tetrol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:209965

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