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CHEBI:213089 - Paecilin E

ChEBI IDCHEBI:213089
ChEBI NamePaecilin E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H30O14
Net Charge0
Average Mass638.578
Monoisotopic Mass638.16356
SMILESCOC(=O)[C@]1([C@H]2OC(=O)C[C@H]2C)CC(=O)c2c(ccc(-c3ccc(O)c4c3O[C@@](C(=O)OC)([C@H]3OC(=O)C[C@H]3C)CC4=O)c2O)O1
InChIInChI=1S/C32H30O14/c1-13-9-21(36)43-27(13)31(29(39)41-3)12-19(35)24-20(45-31)8-6-15(25(24)38)16-5-7-17(33)23-18(34)11-32(30(40)42-4,46-26(16)23)28-14(2)10-22(37)44-28/h5-8,13-14,27-28,33,38H,9-12H2,1-4H3/t13-,14-,27+,28+,31-,32-/m1/s1
InChIKeyUORGKBIHVJEQBO-HUOGUTNUSA-N
Species of MetaboliteComponentSourceComments
Neosartorya (ncbitaxon:36629) - PubMed (29194412)
ChEBI Ontology
Outgoing Relation(s)
Paecilin E (CHEBI:213089) has functional parent tetracarboxylic acid (CHEBI:35742)
Paecilin E (CHEBI:213089) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
methyl (2R)-5-hydroxy-6-[(2R)-5-hydroxy-2-methoxycarbonyl-2-[(2S,3R)-3-methyl-5-oxooxolan-2-yl]-4-oxo-3H-chromen-8-yl]-2-[(2S,3R)-3-methyl-5-oxooxolan-2-yl]-4-oxo-3H-chromene-2-carboxylate
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78439245ChemSpider