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CHEBI:212026 - Xylaromanone C

ChEBI IDCHEBI:212026
ChEBI NameXylaromanone C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H30O14
Net Charge0
Average Mass638.578
Monoisotopic Mass638.16356
SMILESCOC(=O)[C@]1([C@@H]2CCC(=O)O2)CC(=O)c2c(O)cc(C)c(-c3ccc(O)c4c3O[C@](C(=O)OC)([C@H]3OC(=O)C[C@@H]3C)CC4=O)c2O1
InChIInChI=1S/C32H30O14/c1-13-9-17(34)25-18(35)11-31(29(39)41-3,20-7-8-21(37)43-20)46-27(25)23(13)15-5-6-16(33)24-19(36)12-32(30(40)42-4,45-26(15)24)28-14(2)10-22(38)44-28/h5-6,9,14,20,28,33-34H,7-8,10-12H2,1-4H3/t14-,20-,28-,31+,32-/m0/s1
InChIKeyFNECASLUPFDXDD-NZCRMGJJSA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - DOI (10.1016/j.tet.2016.03.095)
ChEBI Ontology
Outgoing Relation(s)
Xylaromanone C (CHEBI:212026) is a hydroxybiphenyls (CHEBI:24681)
IUPAC Name 
methyl (2R)-5-hydroxy-8-[(2S)-5-hydroxy-2-methoxycarbonyl-2-[(2S,3S)-3-methyl-5-oxooxolan-2-yl]-4-oxo-3H-chromen-8-yl]-7-methyl-4-oxo-2-[(2S)-5-oxooxolan-2-yl]-3H-chromene-2-carboxylate
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78437995ChemSpider