CHEBI:205748 - Eryngiolide A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Eryngiolide A
ChEBI ID CHEBI:205748
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H30O8
Net Charge 0
Average Mass 398.452
Monoisotopic Mass 398.19407
InChI InChI=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
InChIKey GHZVTIKGATYJRL-WZRMTEHQSA-N
SMILES O=C1O[C@@H]2[C@@H](O)[C@@](O)(CC[C@@H]3[C@H](C(=O)O[C@@H]3[C@H]([C@](CC[C@@H]2C1=C)(O)C)O)C)C
Metabolite of Species Details
Pleurotus eryngii (NCBI:txid5323) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
78441057 ChemSpider
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