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Concept information

Preferred term

pestalotine a  

Type

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

Broader concept

charge

  • 0

formula

  • C14H14O7

inchi

  • InChI=1S/C14H14O7/c15-10-5-7-1-2-12(21-13(7)19-10)18-9-3-4-17-14-8(9)6-11(16)20-14/h1-4,7-9,12-14H,5-6H2/t7-,8+,9-,12+,13-,14+/m1/s1

inchikey

  • VNPXVJGFPXCSBE-SHLVKXSWSA-N

mass

  • 294.259

monoisotopicmass

  • 294.07395

smiles

  • O=C1O[C@@H]2O[C@H](O[C@@H]3C=CO[C@@H]4[C@H]3CC(=O)O4)C=C[C@@H]2C1

subset

  • 2_STAR

synonym EXACT

  • (3aS,6S,7aS)-6-[[(3aS,4R,7aS)-2-oxo-3,3a,4,7a-tetrahydrouro[2,3-b]pyran-4-yl]oxy]-3,3a,6,7a-tetrahydrouro[2,3-b]pyran-2-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:201191

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