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CHEBI:211825 - Nigrospoxydon B

ChEBI IDCHEBI:211825
ChEBI NameNigrospoxydon B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H30O9
Net Charge0
Average Mass450.484
Monoisotopic Mass450.18898
SMILESCOC(=O)C(Cc1ccccc1)OC(CC(C)C)C(=O)O[C@H]1C(=O)C(CO)=C[C@@H](O)[C@@H]1O
InChIInChI=1S/C23H30O9/c1-13(2)9-17(31-18(22(28)30-3)10-14-7-5-4-6-8-14)23(29)32-21-19(26)15(12-24)11-16(25)20(21)27/h4-8,11,13,16-18,20-21,24-25,27H,9-10,12H2,1-3H3/t16-,17?,18?,20+,21+/m1/s1
InChIKeyWKPWSSVSBBBVAQ-VWHSNLPJSA-N
Species of MetaboliteComponentSourceComments
Nigrospora (ncbitaxon:114230) - PubMed (18646829)
ChEBI Ontology
Outgoing Relation(s)
Nigrospoxydon B (CHEBI:211825) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
[(1R,5R,6S)-5,6-dihydroxy-3-(hydroxymethyl)-2-oxocyclohex-3-en-1-yl] 2-(1-methoxy-1-oxo-3-phenylpropan-2-yl)oxy-4-methylpentanoate
Manual XrefsDatabases
24709506ChemSpider