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Chemistry, part 2

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Concept information

organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > youbetaoufene a1
... > 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 > youbetaoufene a1
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > monocarboxylic acid > youbetaoufene a1
... > 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 > youbetaoufene a1
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > benzenes > youbetaoufene a1
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > benzenes > youbetaoufene a1
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > benzenes > youbetaoufene a1
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > benzenes > youbetaoufene a1
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > benzenes > youbetaoufene a1
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > benzenes > youbetaoufene a1

Preferred term

youbetaoufene a1  

Type

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

Broader concept

charge

  • 0

formula

  • C36H40O4

inchi

  • InChI=1S/C36H40O4/c1-3-5-7-9-11-13-15-19-30-20-17-18-22-33(30)34(28-36(39)40)32-24-23-29(25-26-35(37)38)31(27-32)21-16-14-12-10-8-6-4-2/h3-25,31-32,34H,26-28H2,1-2H3,(H,37,38)(H,39,40)/b5-3+,6-4+,9-7-,10-8-,13-11+,14-12+,19-15-,21-16-,29-25+/t31-,32+,34-/m0/s1

inchikey

  • PBGNPVWDTRYFBH-GSOXOQHNSA-N

mass

  • 536.712

monoisotopicmass

  • 536.29266

smiles

  • O=C(O)C/C=C/1/C=C[C@@H]([C@@H](C2=C(C=CC=C2)/C=C/C=C/C=C/C=C/C)CC(=O)O)C[C@@H]1/C=C/C=C/C=C/C=C/C

subset

  • 2_STAR

synonym EXACT

  • (3S)-3-[(1S,4E,5R)-4-(2-carboxyethylidene)-5-[(1Z,3E,5Z,7E)-nona-1,3,5,7-tetraenyl]cyclohex-2-en-1-yl]-3-[2-[(1Z,3E,5Z,7E)-nona-1,3,5,7-tetraenyl]phenyl]propanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:217051

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