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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 > (1s,6s,7r)-aspergilloid c
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesquiterpenoid > (1s,6s,7r)-aspergilloid c

Preferred term

(1s,6s,7r)-aspergilloid c  

Type

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

Broader concept

charge

  • 0

formula

  • C15H20O5

inchi

  • InChI=1S/C15H20O5/c1-7(2)9-3-4-10(15(19)20)13-11(9)5-8(14(17)18)6-12(13)16/h5,7,9-11,13H,3-4,6H2,1-2H3,(H,17,18)(H,19,20)/t9-,10+,11-,13-/m1/s1

inchikey

  • QMMHSYVPONJFRH-LSCVPOLPSA-N

mass

  • 280.320

monoisotopicmass

  • 280.13107

smiles

  • O=C1[C@H]2[C@H](C=C(C1)C(=O)O)[C@@H](C(C)C)CC[C@@H]2C(=O)O

subset

  • 2_STAR

synonym EXACT

  • (1S,4R,4aS,8aS)-8-oxo-4-propan-2-yl-2,3,4,4a,7,8a-hexahydro-1H-naphthalene-1,6-dicarboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:223808

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