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Chemistry, part 2

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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 > sesquiterpenoid > sphestrin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesquiterpenoid > sphestrin

Preferred term

sphestrin  

Type

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

Broader concept

charge

  • 0

formula

  • C27H39NO4

inchi

  • InChI=1S/C27H39NO4/c1-20(9-6-11-21(2)13-8-17-29)10-7-12-22(3)16-18-32-27(31)26-23-14-4-5-15-24(23)28-25(26)19-30/h4-5,7,10,12,14-15,20-21,28-30H,6,8-9,11,13,16-19H2,1-3H3/b10-7+,22-12+

inchikey

  • UTVUOSLCXPYQHO-SMVGYKGESA-N

mass

  • 441.612

monoisotopicmass

  • 441.28791

smiles

  • O=C(OCC/C(=C/C=C/C(CCCC(CCCO)C)C)/C)C=1C2=C(C=CC=C2)NC1CO

subset

  • 2_STAR

synonym EXACT

  • [(3E,5E)-14-hydroxy-3,7,11-trimethyltetradeca-3,5-dienyl] 2-(hydroxymethyl)-1H-indole-3-carboxylate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:218177

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