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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 > benzoic acid, 3-[(e)-[(3ar,4s,5s,6ar)-4-[(1e,3r)-3-cyclohexyl-3-hydroxy-1-propen-1-yl]hexahydro-5-hydroxy-2(1h)-pentalenylidene]methyl]-, rel-
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > monoterpenoid > benzoic acid, 3-[(e)-[(3ar,4s,5s,6ar)-4-[(1e,3r)-3-cyclohexyl-3-hydroxy-1-propen-1-yl]hexahydro-5-hydroxy-2(1h)-pentalenylidene]methyl]-, rel-

Preferred term

benzoic acid, 3-[(e)-[(3ar,4s,5s,6ar)-4-[(1e,3r)-3-cyclohexyl-3-hydroxy-1-propen-1-yl]hexahydro-5-hydroxy-2(1h)-pentalenylidene]methyl]-, rel-  

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+/m1/s1

inchikey

  • OINUMRGCICIETD-LXLNTCLVSA-N

mass

  • 396.527

monoisotopicmass

  • 396.23006

smiles

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

subset

  • 2_STAR

synonym EXACT

  • 3-[(E)-[(3aR,4S,5S,6aR)-4-[(E,3R)-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:191021

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