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Chemistry, part 2

Content language

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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > fatty acid > medium-chain fatty acid > pyrenulic acid g
... > 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 > fatty acid > medium-chain fatty acid > pyrenulic acid g
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > monocarboxylic acid > fatty acid > medium-chain fatty acid > pyrenulic acid g
... > 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 > fatty acid > medium-chain fatty acid > pyrenulic acid g
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > fatty acid > medium-chain fatty acid > pyrenulic acid g

Preferred term

pyrenulic acid g  

Type

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

Broader concept

charge

  • 0

formula

  • C26H36O4

inchi

  • InChI=1S/C26H36O4/c1-6-16(3)26-18(5)23-17(4)14-19-13-15(2)11-12-20(19)24(23)25(29)21(30-26)9-7-8-10-22(27)28/h7-11,14,16,19-21,23-26,29H,5-6,12-13H2,1-4H3,(H,27,28)/b9-7+,10-8+/t16-,19+,20-,21-,23+,24+,25-,26-/m1/s1

inchikey

  • LBYDPIJWXFEKAF-HVTBUZGZSA-N

mass

  • 412.570

monoisotopicmass

  • 412.26136

smiles

  • O=C(O)/C=C/C=C/[C@H]1O[C@@H](C(=C)[C@H]2[C@@H]([C@@H]1O)[C@H]3[C@@H](CC(C)=CC3)C=C2C)[C@@H](CC)C

subset

  • 2_STAR

synonym EXACT

  • (2E,4E)-5-[(1S,2R,4R,5aS,7aR,11aR,11bS)-4-[(2R)-butan-2-yl]-1-hydroxy-6,9-dimethyl-5-methylidene-1,2,5a,7a,8,11,11a,11b-octahydrobenzo[i][3]benzoxepin-2-yl]penta-2,4-dienoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:199902

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