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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 > organic hydroxy compound > alcohol > tertiary alcohol > hederacine a
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > tertiary alcohol > hederacine a
organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > hederacine a
... > 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 acid > monocarboxylic acid > hederacine a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > monocarboxylic acid > hederacine a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic acid > carboxylic acid > monocarboxylic acid > hederacine a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > alkaloid > hederacine a

Preferred term

hederacine a  

Type

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

Broader concept

charge

  • 0

formula

  • C16H26N2O3

has_role

inchi

  • InChI=1S/C16H26N2O3/c1-9(13(19)20)10-7-12-14(2)6-5-11(17)15(14,3)8-16(10,21)18(12)4/h11-12,21H,5-8,17H2,1-4H3,(H,19,20)/b10-9-/t11-,12+,14-,15-,16-/m1/s1

inchikey

  • VESMUQGSQBZLLK-SQWIVPEQSA-N

mass

  • 294.38920

monoisotopicmass

  • 294.19434

smiles

  • [H][C@]12C/C(=C(/C)C(O)=O)[C@](O)(C[C@]3(C)[C@H](N)CC[C@]13C)N2C

subset

  • 3_STAR

synonym EXACT

  • (2Z)-2-[(1R,3aS,4S,7R,8aS)-1-amino-7-hydroxy-3a,8a,9-trimethyloctahydro-4,7-epiminoazulen-6(1H)-ylidene]propanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:66007

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