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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 > p-menthane monoterpenoid > trichobisabolin d
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > monoterpenoid > p-menthane monoterpenoid > trichobisabolin d

Preferred term

trichobisabolin d  

Type

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

Broader concept

charge

  • 0

formula

  • C16H28O3

inchi

  • InChI=1S/C16H28O3/c1-12(6-5-7-13(2)19-14(3)17)15-8-10-16(4,18)11-9-15/h8,10,12-13,15,18H,5-7,9,11H2,1-4H3/t12-,13?,15+,16-/m1/s1

inchikey

  • VDIBVWMHMSHSRS-RRZQYYKNSA-N

mass

  • 268.397

monoisotopicmass

  • 268.20384

smiles

  • O=C(OC(CCC[C@H]([C@H]1C=C[C@](O)(C)CC1)C)C)C

subset

  • 2_STAR

synonym EXACT

  • [(6R)-6-[(1S,4S)-4-hydroxy-4-methylcyclohex-2-en-1-yl]heptan-2-yl] acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:210827

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