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Chemistry, part 1

Content language

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Concept information

organooxygen compound > ester > carboxylic ester > benzoate ester > armillarivin
organooxygen compound > carbonyl compound > carboxylic ester > benzoate ester > armillarivin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > sesquiterpenoid > armillarivin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesquiterpenoid > armillarivin

Preferred term

armillarivin  

Type

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

Broader concept

charge

  • 0

formula

  • C23H28O5

inchi

  • InChI=1S/C23H28O5/c1-12-5-15(25)7-17(26)19(12)21(27)28-18-10-23(4)16-9-22(2,3)8-13(16)6-14(11-24)20(18)23/h5-7,11,13,16,18,20,25-26H,8-10H2,1-4H3/t13-,16+,18-,20-,23-/m1/s1

inchikey

  • NFCOJBIECSQMAM-JQISRXLJSA-N

mass

  • 384.472

monoisotopicmass

  • 384.19367

smiles

  • O([C@H]1[C@@]2([C@@]([C@@]3([C@@](CC(C3)(C)C)(C=C2C=O)[H])[H])(C1)C)[H])C(=O)C=4C(=CC(O)=CC4O)C

subset

  • 2_STAR

synonym EXACT

  • [(2R,2aR,4aS,7aS,7bR)-3-ormyl-6,6,7b-trimethyl-2,2a,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-2-yl] 2,4-dihydroxy-6-methylbenzoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:175056

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