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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 > isoprenoid > terpenoid > diterpenoid > 5-[(8as)-2,5,5,8a-tetramethyl-3-oxo-4a,6,7,8-tetrahydro-4h-naphthalen-1-yl]-3-methylpentanoic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > diterpenoid > 5-[(8as)-2,5,5,8a-tetramethyl-3-oxo-4a,6,7,8-tetrahydro-4h-naphthalen-1-yl]-3-methylpentanoic acid

Preferred term

5-[(8as)-2,5,5,8a-tetramethyl-3-oxo-4a,6,7,8-tetrahydro-4h-naphthalen-1-yl]-3-methylpentanoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C20H32O3

inchi

  • InChI=1S/C20H32O3/c1-13(11-18(22)23)7-8-15-14(2)16(21)12-17-19(3,4)9-6-10-20(15,17)5/h13,17H,6-12H2,1-5H3,(H,22,23)/t13?,17?,20-/m1/s1

inchikey

  • BARZJLALPXZLMN-RJGDCVCESA-N

mass

  • 320.473

monoisotopicmass

  • 320.23514

smiles

  • O=C1CC2[C@](CCCC2(C)C)(C(=C1C)CCC(CC(O)=O)C)C

subset

  • 2_STAR

synonym EXACT

  • 5-[(8aS)-2,5,5,8a-tetramethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]-3-methylpentanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:181048

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