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Chemistry, part 2

Content language

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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 > organic hydroxy compound > alcohol > aliphatic alcohol > emericelactone a
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > aliphatic alcohol > emericelactone a

Preferred term

emericelactone a  

Type

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

Broader concept

charge

  • 0

formula

  • C25H34O4

inchi

  • InChI=1S/C25H34O4/c1-9-17(3)19(26)18(4)15-16(2)13-11-10-12-14-24(7)21-23(5,6)20(27)25(24,8)22(28)29-21/h9-15,19,21,26H,1-8H3/b11-10+,14-12+,16-13-,17-9+,18-15+/t19-,21-,24+,25-/m0/s1

inchikey

  • PSEQDKOEUKPHCZ-PSTBTISBSA-N

mass

  • 398.543

monoisotopicmass

  • 398.24571

smiles

  • O=C1O[C@H]2C(C)(C)C([C@@]1([C@@]2(/C=C/C=C/C=C(/C=C(/[C@@H](O)/C(=C/C)/C)/C)/C)C)C)=O

subset

  • 2_STAR

synonym EXACT

  • (1R,4S,7S)-7-[(1E,3E,5Z,7E,9S,10E)-9-hydroxy-6,8,10-trimethyldodeca-1,3,5,7,10-pentaenyl]-4,6,6,7-tetramethyl-2-oxabicyclo[2.2.1]heptane-3,5-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:218087

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