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CHEBI:206197 - Phomaketide D

ChEBI IDCHEBI:206197
ChEBI NamePhomaketide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H34O7
Net Charge0
Average Mass410.507
Monoisotopic Mass410.23045
SMILESCO[C@H]1[C@@H](OC(=O)/C=C/[C@H]2O[C@@H]2C)CC[C@@]2(O)CO[C@@](C)(C(O)CC=C(C)C)[C@H]12
InChIInChI=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
InChIKeyPYDIXUYHVOZYTI-RZPNOOOZSA-N
Species of MetaboliteComponentSourceComments
Phomaspecies NTOU4195 (ncbitaxon:1889261) - PubMed (27976895)
ChEBI Ontology
Outgoing Relation(s)
Phomaketide D (CHEBI:206197) is a 2-benzofurans (CHEBI:38831)
IUPAC Name 
[(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
Manual XrefsDatabases
60596845ChemSpider