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CHEBI:213823 - Hawaiinolide E

ChEBI IDCHEBI:213823
ChEBI NameHawaiinolide E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O6
Net Charge0
Average Mass364.438
Monoisotopic Mass364.18859
SMILESC=C[C@]1(O)[C@H](C)[C@@H]2CC(=O)[C@@]3(O)[C@@]4(C)C(=O)O[C@H]4CC[C@]3(C)[C@H]2C[C@@H]1O
InChIInChI=1S/C20H28O6/c1-5-19(24)10(2)11-8-14(22)20(25)17(3,12(11)9-13(19)21)7-6-15-18(20,4)16(23)26-15/h5,10-13,15,21,24-25H,1,6-9H2,2-4H3/t10-,11+,12+,13+,15+,17-,18-,19+,20+/m1/s1
InChIKeyBZFNJWAIPRSWHD-BJWWUTLWSA-N
Species of MetaboliteComponentSourceComments
Paracamarosporium hawaiiense (ncbitaxon:502129) - PubMed (25301775)
ChEBI Ontology
Outgoing Relation(s)
Hawaiinolide E (CHEBI:213823) is a β-lactone (CHEBI:49043)
IUPAC Name 
(1R,2S,4S,5S,6R,7R,10S,11S,14S)-5-ethenyl-4,5,10-trihydroxy-1,6,11-trimethyl-13-oxatetracyclo[8.6.0.02,7.011,14]hexadecane-9,12-dione
Manual XrefsDatabases
78443431ChemSpider