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CHEBI:216980 - Pseudoanguillosporin A

ChEBI IDCHEBI:216980
ChEBI NamePseudoanguillosporin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H26O3
Net Charge0
Average Mass278.392
Monoisotopic Mass278.18819
SMILESCCCCCCC[C@@H]1Cc2c(C)c(O)cc(O)c2CO1
InChIInChI=1S/C17H26O3/c1-3-4-5-6-7-8-13-9-14-12(2)16(18)10-17(19)15(14)11-20-13/h10,13,18-19H,3-9,11H2,1-2H3/t13-/m1/s1
InChIKeyCHHKGJIZUJUBDN-CYBMUJFWSA-N
Species of MetaboliteComponentSourceComments
Pseudoanguillospora (ncbitaxon:2499815) - DOI (10.1002/ejoc.200801083)
ChEBI Ontology
Outgoing Relation(s)
Pseudoanguillosporin A (CHEBI:216980) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(3R)-3-heptyl-5-methyl-3,4-dihydro-1H-isochromene-6,8-diol
Manual XrefsDatabases
28286134ChemSpider