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Concept information

Preferred term

Phomaketide D  

Type

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

Broader concept

charge

  • 0

formula

  • C22H34O7

inchi

  • InChI=1S/C22H34O7/c1-13(2)6-8-17(23)21(4)20-19(26-5)16(10-11-22(20,25)12-27-21)29-18(24)9-7-15-14(3)28-15/h6-7,9,14-17,19-20,23,25H,8,10-12H2,1-5H3/b9-7+/t14-,15-,16+,17?,19+,20+,21+,22-/m1/s1

inchikey

  • PYDIXUYHVOZYTI-RZPNOOOZSA-N

mass

  • 410.507

monoisotopicmass

  • 410.23045

smiles

  • O=C(O[C@@H]1[C@H](OC)[C@@H]2[C@](O)(CO[C@]2(C(O)CC=C(C)C)C)CC1)/C=C/[C@H]3O[C@@H]3C

subset

  • 2_STAR

synonym EXACT

  • [(3R,3aR,4R,5S,7aS)-7a-hydroxy-3-(1-hydroxy-4-methylpent-3-enyl)-4-methoxy-3-methyl-1,3a,4,5,6,7-hexahydro-2-benzouran-5-yl] (E)-3-[(2R,3R)-3-methyloxiran-2-yl]prop-2-enoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:206197

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