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CHEBI:199708 - Paraphaeosphaerin B

Default Structure
ChEBI IDCHEBI:199708
ChEBI NameParaphaeosphaerin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H18O6
Net Charge0
Average Mass330.336
Monoisotopic Mass330.11034
SMILESC[C@@H](O)C[C@H]1O[C@@H]1/C=C/C=C/c1cc2cc(O)cc(O)c2c(=O)o1
InChIInChI=1S/C18H18O6/c1-10(19)6-16-15(24-16)5-3-2-4-13-8-11-7-12(20)9-14(21)17(11)18(22)23-13/h2-5,7-10,15-16,19-21H,6H2,1H3/b4-2+,5-3+/t10-,15-,16-/m1/s1
InChIKeyTYXXEQMKBIKKOL-NYOBOZBLSA-N
Species of MetaboliteComponentSourceComments
Neophaeosphaeria quadriseptata (ncbitaxon:125377) - DOI (10.1016/j.tet.2006.06.089)
ChEBI Ontology
Outgoing Relation(s)
Paraphaeosphaerin B (CHEBI:199708) is a isocoumarins (CHEBI:38758)
IUPAC Name 
6,8-dihydroxy-3-[(1E,3E)-4-[(2R,3R)-3-[(2R)-2-hydroxypropyl]oxiran-2-yl]buta-1,3-dienyl]isochromen-1-one
Manual XrefsDatabases
78442490ChemSpider