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Concept information

Preferred term

pestalic acid d  

Type

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

Broader concept

charge

  • 0

formula

  • C18H26O5

inchi

  • InChI=1S/C18H26O5/c1-3-4-5-6-7-8-14-11-15(19)12-18(23,16(14)20)10-9-13(2)17(21)22/h7-9,11,16,20,23H,3-6,10,12H2,1-2H3,(H,21,22)/b8-7+,13-9+/t16-,18+/m1/s1

inchikey

  • CFZKNIXHYHMVFM-CYJYWUSCSA-N

mass

  • 322.401

monoisotopicmass

  • 322.17802

smiles

  • O=C1C=C(/C=C/CCCCC)[C@@H](O)[C@](C1)(O)C/C=C(/C(=O)O)/C

subset

  • 2_STAR

synonym EXACT

  • (E)-4-[(1S,2R)-3-[(E)-hept-1-enyl]-1,2-dihydroxy-5-oxocyclohex-3-en-1-yl]-2-methylbut-2-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:214904

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