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Chemistry, part 2

Content language

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Concept information

organooxygen compound > ester > carboxylic ester > methyl ester > baloxine
organooxygen compound > carbonyl compound > carboxylic ester > methyl ester > baloxine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > methyl ester > baloxine
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > methyl ester > baloxine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > alkaloid > baloxine

Preferred term

baloxine  

Type

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

Broader concept

charge

  • 0

formula

  • C21H24N2O4

inchi

  • InChI=1S/C21H24N2O4/c1-12(24)20-9-13(25)11-23-8-7-21(19(20)23)15-5-3-4-6-16(15)22-17(21)14(10-20)18(26)27-2/h3-6,12,19,22,24H,7-11H2,1-2H3/t12-,19-,20-,21-/m0/s1

inchikey

  • CQSFDKICYDHRGT-XSGSXHBCSA-N

mass

  • 368.427

monoisotopicmass

  • 368.17361

smiles

  • COC(=O)C1=C2Nc3ccccc3[C@@]22CCN3CC(=O)C[C@](C1)([C@H](C)O)[C@@H]23

subset

  • 2_STAR

synonym EXACT

  • Baloxine

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:2988

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