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CHEBI:212459 - Pestaloficiol T

ChEBI IDCHEBI:212459
ChEBI NamePestaloficiol T
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H36O12
Net Charge0
Average Mass600.617
Monoisotopic Mass600.22068
SMILESCCCCCC[C@H](OC(=O)c1c(O)cc(C)cc1Oc1c(O)cc(OC)cc1C(=O)OC)c1oc(=O)cc(OC)c1CO
InChIInChI=1S/C31H36O12/c1-6-7-8-9-10-23(29-20(16-32)24(39-4)15-26(35)43-29)42-31(37)27-21(33)11-17(2)12-25(27)41-28-19(30(36)40-5)13-18(38-3)14-22(28)34/h11-15,23,32-34H,6-10,16H2,1-5H3/t23-/m0/s1
InChIKeyXCYKAMMGHWDGSQ-QHCPKHFHSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis fici (ncbitaxon:393283) - PubMed (27015125)
ChEBI Ontology
Outgoing Relation(s)
Pestaloficiol T (CHEBI:212459) is a aromatic ether (CHEBI:35618)
IUPAC Name 
[(1S)-1-[3-(hydroxymethyl)-4-methoxy-6-oxopyran-2-yl]heptyl] 2-hydroxy-6-(2-hydroxy-4-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate
Manual XrefsDatabases
78441116ChemSpider