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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 > sesquiterpenoid > acutifolane a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesquiterpenoid > acutifolane a

Preferred term

acutifolane a  

Type

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

Broader concept

charge

  • 0

formula

  • C16H22O3

inchi

  • InChI=1S/C16H22O3/c1-6-12-9-13(17)16(14(18)19-5)10(2)7-8-15(16,4)11(12)3/h6,9-11H,1,7-8H2,2-5H3/t10-,11-,15+,16?/m1/s1

inchikey

  • XEJHIPPQYNXLCZ-PQTJLGCFSA-N

mass

  • 262.349

monoisotopicmass

  • 262.15689

smiles

  • O(C(=O)C12[C@@](CC[C@H]1C)([C@@H](C(=CC2=O)C=C)C)C)C

subset

  • 2_STAR

synonym EXACT

  • methyl (3R,7R,7aS)-6-ethenyl-3,7,7a-trimethyl-4-oxo-1,2,3,7-tetrahydroindene-3a-carboxylate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:184247

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