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CHEBI:205748 - Eryngiolide A

ChEBI IDCHEBI:205748
ChEBI NameEryngiolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O8
Net Charge0
Average Mass398.452
Monoisotopic Mass398.19407
SMILESC=C1C(=O)O[C@H]2[C@@H]1CC[C@](C)(O)[C@H](O)[C@H]1OC(=O)[C@H](C)[C@H]1CC[C@](C)(O)[C@@H]2O
InChIInChI=1S/C20H30O8/c1-9-11-5-7-19(3,25)16(22)14-12(10(2)18(24)28-14)6-8-20(4,26)15(21)13(11)27-17(9)23/h10-16,21-22,25-26H,1,5-8H2,2-4H3/t10-,11-,12-,13+,14+,15-,16-,19+,20+/m1/s1
InChIKeyGHZVTIKGATYJRL-WZRMTEHQSA-N
Species of MetaboliteComponentSourceComments
Pleurotus eryngii (ncbitaxon:5323) - PubMed (22769974)
ChEBI Ontology
Outgoing Relation(s)
Eryngiolide A (CHEBI:205748) is a macrolide (CHEBI:25106)
IUPAC Name 
(1R,4S,5R,6S,9R,10R,13S,14R,15S)-4,5,13,14-tetrahydroxy-4,9,13-trimethyl-18-methylidene-7,16-dioxatricyclo[13.3.0.06,10]octadecane-8,17-dione
Manual XrefsDatabases
78441057ChemSpider