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CHEBI:218442 - Paecilin C

ChEBI IDCHEBI:218442
ChEBI NamePaecilin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H30O14
Net Charge0
Average Mass638.578
Monoisotopic Mass638.16356
SMILESCOC(=O)C1([C@@H]2OC(=O)C[C@@H]2C)CC(=O)c2c(O)ccc(-c3ccc(O)c4c3OC(C(=O)OC)([C@H]3OC(=O)C[C@@H]3C)CC4=O)c2O1
InChIInChI=1S/C32H30O14/c1-13-9-21(37)43-27(13)31(29(39)41-3)11-19(35)23-17(33)7-5-15(25(23)45-31)16-6-8-18(34)24-20(36)12-32(30(40)42-4,46-26(16)24)28-14(2)10-22(38)44-28/h5-8,13-14,27-28,33-34H,9-12H2,1-4H3/t13-,14-,27-,28+,31?,32?/m0/s1
InChIKeyUJORNCQXCUJGMA-BQQYPSOVSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (23232928)
ChEBI Ontology
Outgoing Relation(s)
Paecilin C (CHEBI:218442) is a hydroxybiphenyls (CHEBI:24681)
IUPAC Name 
methyl 5-hydroxy-8-[5-hydroxy-2-methoxycarbonyl-2-[(2R,3S)-3-methyl-5-oxooxolan-2-yl]-4-oxo-3H-chromen-8-yl]-2-[(2S,3S)-3-methyl-5-oxooxolan-2-yl]-4-oxo-3H-chromene-2-carboxylate
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