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CHEBI:215430 - Sinopestalotiollide D

ChEBI IDCHEBI:215430
ChEBI NameSinopestalotiollide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H24O7
Net Charge0
Average Mass400.427
Monoisotopic Mass400.15220
SMILESCOc1c(/C=C/[C@](C)(CO)OC)ccc2c1C(=O)OCc1cc(C)cc(O)c1O2
InChIInChI=1S/C22H24O7/c1-13-9-15-11-28-21(25)18-17(29-19(15)16(24)10-13)6-5-14(20(18)26-3)7-8-22(2,12-23)27-4/h5-10,23-24H,11-12H2,1-4H3/b8-7+/t22-/m1/s1
InChIKeySDYUGOSPMGYUOF-VQKOGROQSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis palmarum (ncbitaxon:173185) - PubMed (29295796)
ChEBI Ontology
Outgoing Relation(s)
Sinopestalotiollide D (CHEBI:215430) is a aromatic ether (CHEBI:35618)
IUPAC Name 
6-hydroxy-2-[(E)-4-hydroxy-3-methoxy-3-methylbut-1-enyl]-1-methoxy-8-methyl-10H-benzo[b][1,5]benzodioxocin-12-one
Manual XrefsDatabases
90640920ChemSpider