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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 > sesquiterpenoid > (1r,2r,3s,8ar)-7-acetyl-1,2,3,4,8,8a-hexahydro-3,6-dihydroxy-1,8a-dimethylnaphthalen-2-yl acetate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesquiterpenoid > (1r,2r,3s,8ar)-7-acetyl-1,2,3,4,8,8a-hexahydro-3,6-dihydroxy-1,8a-dimethylnaphthalen-2-yl acetate

Preferred term

(1r,2r,3s,8ar)-7-acetyl-1,2,3,4,8,8a-hexahydro-3,6-dihydroxy-1,8a-dimethylnaphthalen-2-yl acetate  

Type

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

Broader concept

charge

  • 0

formula

  • C16H22O5

inchi

  • InChI=1S/C16H22O5/c1-8-15(21-10(3)18)14(20)6-11-5-13(19)12(9(2)17)7-16(8,11)4/h5,8,14-15,19-20H,6-7H2,1-4H3/t8-,14-,15+,16+/m0/s1

inchikey

  • DQUXTQMGQIEXIK-VCVMDOMWSA-N

mass

  • 294.347

monoisotopicmass

  • 294.14672

smiles

  • O=C(O[C@H]1[C@@H](O)CC2=CC(O)=C(C[C@@]2([C@H]1C)C)C(=O)C)C

subset

  • 2_STAR

synonym EXACT

  • [(1R,2R,3S,8aR)-7-acetyl-3,6-dihydroxy-1,8a-dimethyl-2,3,4,8-tetrahydro-1H-naphthalen-2-yl] acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:223282

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