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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 > isoprenoid > terpenoid > monoterpenoid > cg 4305
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > monoterpenoid > cg 4305

Preferred term

cg 4305  

Type

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

Broader concept

charge

  • 0

formula

  • C25H32O4

inchi

  • InChI=1S/C25H32O4/c26-23(18-6-2-1-3-7-18)10-9-21-22-14-17(13-20(22)15-24(21)27)11-16-5-4-8-19(12-16)25(28)29/h4-5,8-12,18,20-24,26-27H,1-3,6-7,13-15H2,(H,28,29)/b10-9+,17-11+/t20-,21+,22-,23+,24+/m0/s1

inchikey

  • OINUMRGCICIETD-CGKNXJIZSA-N

mass

  • 396.527

monoisotopicmass

  • 396.23006

smiles

  • O[C@H]1[C@@H]([C@@H]2[C@H](C1)C/C(/C2)=C/C3=CC(=CC=C3)C(O)=O)/C=C/[C@@H](O)C4CCCCC4

subset

  • 2_STAR

synonym EXACT

  • 3-[(E)-[(3aS,4R,5R,6aS)-4-[(E,3S)-3-cyclohexyl-3-hydroxyprop-1-enyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]methyl]benzoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:231204

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