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CHEBI:200078 - Jerangolid A

ChEBI IDCHEBI:200078
ChEBI NameJerangolid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O5
Net Charge0
Average Mass376.493
Monoisotopic Mass376.22497
SMILESCC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@H]2CC(OC)=C(CO)C(=O)O2)CC=C1C
InChIInChI=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
InChIKeyMEBIEOPXFPLSPF-AKKMNRGHSA-N
Species of MetaboliteComponentSourceComments
Sorangium (ncbitaxon:39643) - PubMed (8609090)
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
8937404ChemSpider