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

Preferred term

pestalotiopsin b  

Type

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

Broader concept

charge

  • 0

formula

  • C18H30O5

inchi

  • InChI=1S/C18H30O5/c1-11-6-14(22-5)8-13(10-19)15-9-17(3,4)18(15,21)16(7-11)23-12(2)20/h6,13-16,19,21H,7-10H2,1-5H3/t13?,14-,15-,16+,18-/m1/s1

inchikey

  • FBYOODMLZCFCSM-HVKRJVQQSA-N

mass

  • 326.433

monoisotopicmass

  • 326.20932

smiles

  • O=C(O[C@@H]1[C@@]2(O)C(C[C@@H]2C(C[C@@H](C=C(C1)C)OC)CO)(C)C)C

subset

  • 2_STAR

synonym EXACT

  • [(1S,2S,6S,9R)-1-hydroxy-8-(hydroxymethyl)-6-methoxy-4,11,11-trimethyl-2-bicyclo[7.2.0]undec-4-enyl] acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:219316

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