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CHEBI:199900 - Gonytolide A

ChEBI IDCHEBI:199900
ChEBI NameGonytolide A
Stars
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(-c3c(C)cc(O)c4c3O[C@@](C(=O)OC)([C@@H]3CCC(=O)O3)CC4=O)c2O1
InChIInChI=1S/C32H30O14/c1-13-9-15(33)25-17(35)11-31(29(39)41-3,19-5-7-21(37)43-19)45-27(25)23(13)24-14(2)10-16(34)26-18(36)12-32(30(40)42-4,46-28(24)26)20-6-8-22(38)44-20/h9-10,19-20,33-34H,5-8,11-12H2,1-4H3/t19-,20-,31+,32+/m0/s1
InChIKeyJENKJIXLVFFCGZ-PYTHCZBLSA-N
Species of MetaboliteComponentSourceComments
Gonytrichumspecies (ncbitaxon:2706005) - PubMed (21827134)
ChEBI Ontology
Outgoing Relation(s)
Gonytolide A (CHEBI:199900) is a hydroxybiphenyls (CHEBI:24681)
IUPAC Name 
methyl (2R)-5-hydroxy-8-[(2R)-5-hydroxy-2-methoxycarbonyl-7-methyl-4-oxo-2-[(2S)-5-oxooxolan-2-yl]-3H-chromen-8-yl]-7-methyl-4-oxo-2-[(2S)-5-oxooxolan-2-yl]-3H-chromene-2-carboxylate
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34443111ChemSpider