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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 > diterpenoid > prenyl-beta-elemene
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > diterpenoid > prenyl-beta-elemene

Preferred term

prenyl-beta-elemene  

Type

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

Broader concept

charge

  • 0

formula

  • C20H32

inchi

  • InChI=1S/C20H32/c1-8-20(7)13-12-18(14-19(20)16(4)5)17(6)11-9-10-15(2)3/h8,10,18-19H,1,4,6,9,11-14H2,2-3,5,7H3/t18-,19+,20-/m1/s1

inchikey

  • GHRLTQJRUVMEDH-HSALFYBXSA-N

mass

  • 272.476

monoisotopicmass

  • 272.25040

smiles

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

subset

  • 2_STAR

synonym EXACT

  • (1S,2S,4R)-1-ethenyl-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)-2-prop-1-en-2-ylcyclohexane

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:227630

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