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Chemistry, part 1

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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 > callicarpenal
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesquiterpenoid > callicarpenal
organooxygen compound > carbonyl compound > aldehyde > callicarpenal

Preferred term

callicarpenal  

Type

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

Broader concept

charge

  • 0

formula

  • C16H26O

inchi

  • InChI=1S/C16H26O/c1-12-6-5-7-14-15(12,3)9-8-13(2)16(14,4)10-11-17/h6,11,13-14H,5,7-10H2,1-4H3/t13-,14+,15+,16+/m1/s1

inchikey

  • MPWIIQYWQOBNKS-UGUYLWEFSA-N

mass

  • 234.383

monoisotopicmass

  • 234.19837

smiles

  • O=CC[C@@]1([C@@]2([C@@](CC[C@H]1C)(C(=CCC2)C)C)[H])C

subset

  • 2_STAR

synonym EXACT

  • 2-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]acetaldehyde

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:166993

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