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CHEBI:216842 - Paraphaeosphaerin C

ChEBI IDCHEBI:216842
ChEBI NameParaphaeosphaerin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H20O7
Net Charge0
Average Mass348.351
Monoisotopic Mass348.12090
SMILESC[C@@H](O)C[C@H]1O[C@@H]1C[C@H](O)/C=C/c1cc2cc(O)cc(O)c2c(=O)o1
InChIInChI=1S/C18H20O7/c1-9(19)4-15-16(25-15)8-11(20)2-3-13-6-10-5-12(21)7-14(22)17(10)18(23)24-13/h2-3,5-7,9,11,15-16,19-22H,4,8H2,1H3/b3-2+/t9-,11-,15-,16-/m1/s1
InChIKeyYJWRSMDKBNPFHP-AVJVPKKHSA-N
Species of MetaboliteComponentSourceComments
Neophaeosphaeria quadriseptata (ncbitaxon:125377) - DOI (10.1016/j.tet.2006.06.089)
ChEBI Ontology
Outgoing Relation(s)
Paraphaeosphaerin C (CHEBI:216842) is a isocoumarins (CHEBI:38758)
IUPAC Name 
6,8-dihydroxy-3-[(E,3S)-3-hydroxy-4-[(2R,3R)-3-[(2R)-2-hydroxypropyl]oxiran-2-yl]but-1-enyl]isochromen-1-one
Manual XrefsDatabases
78442648ChemSpider