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CHEBI:219783 - Panglimycin A

Default Structure
ChEBI IDCHEBI:219783
ChEBI NamePanglimycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H20O6
Net Charge0
Average Mass344.363
Monoisotopic Mass344.12599
SMILESC[C@H]1CC(=O)C2=C(C1)C[C@H](O)[C@@]1(O)[C@@H]2C(=O)c2cccc(O)c2[C@H]1O
InChIInChI=1S/C19H20O6/c1-8-5-9-7-13(22)19(25)16(14(9)12(21)6-8)17(23)10-3-2-4-11(20)15(10)18(19)24/h2-4,8,13,16,18,20,22,24-25H,5-7H2,1H3/t8-,13+,16+,18-,19-/m1/s1
InChIKeyPKPHZFVECLENRP-YJSVOYSGSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (18081255)
ChEBI Ontology
Outgoing Relation(s)
Panglimycin A (CHEBI:219783) is a tetralins (CHEBI:36786)
IUPAC Name 
(3R,6S,6aS,7R,12aR)-6,6a,7,8-tetrahydroxy-3-methyl-3,4,5,6,7,12a-hexahydro-2H-benzo[a]anthracene-1,12-dione
Manual XrefsDatabases
78440401ChemSpider