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CHEBI:202500 - Xylaromanone B

ChEBI IDCHEBI:202500
ChEBI NameXylaromanone B
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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(cc(C)c(-c3ccc(O)c4c3O[C@](C(=O)OC)([C@H]3OC(=O)C[C@@H]3C)CC4=O)c2O)O1
InChIInChI=1S/C32H30O14/c1-13-9-19-25(18(35)11-31(45-19,29(39)41-3)20-7-8-21(36)43-20)26(38)23(13)15-5-6-16(33)24-17(34)12-32(30(40)42-4,46-27(15)24)28-14(2)10-22(37)44-28/h5-6,9,14,20,28,33,38H,7-8,10-12H2,1-4H3/t14-,20-,28-,31+,32-/m0/s1
InChIKeyASTGPHLKNTXTLO-NZCRMGJJSA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - DOI (10.1016/j.tet.2016.03.095)
ChEBI Ontology
Outgoing Relation(s)
Xylaromanone B (CHEBI:202500) has functional parent tetracarboxylic acid (CHEBI:35742)
Xylaromanone B (CHEBI:202500) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
methyl (2R)-5-hydroxy-6-[(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
Manual XrefsDatabases
78436879ChemSpider