CHEBI:200078 - Jerangolid 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 Jerangolid A
ChEBI ID CHEBI:200078
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H32O5
Net Charge 0
Average Mass 376.493
Monoisotopic Mass 376.22497
InChI InChI=1S/C22H32O5/c1-6-19-15(3)8-10-20(27-19)16(4)11-14(2)7-9-17-12-21(25-5)18(13-23)22(24)26-17/h7-9,11,14,17,19-20,23H,6,10,12-13H2,1-5H3/b9-7+,16-11+/t14-,17+,19-,20-/m1/s1
InChIKey MEBIEOPXFPLSPF-AKKMNRGHSA-N
SMILES O=C1O[C@@H](/C=C/[C@H](/C=C(/[C@@H]2O[C@@H](C(C)=CC2)CC)\C)C)CC(=C1CO)OC
Metabolite of Species Details
Sorangium (NCBI:txid39643) See: PubMed
ChEBI Ontology
Outgoing Jerangolid A (CHEBI:200078) is a pyranone (CHEBI:37963)
IUPAC Name
(2R)-2-[(1E,3R,4E)-5-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]-3-methylhexa-1,4-dienyl]-5-(hydroxymethyl)-4-methoxy-2,3-dihydropyran-6-one
Manual Xref Database
8937404 ChemSpider
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