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CHEBI:200886 - Hawaiinolide D

ChEBI IDCHEBI:200886
ChEBI NameHawaiinolide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30O5
Net Charge0
Average Mass374.477
Monoisotopic Mass374.20932
SMILESC=C[C@@H]1C(=C)CC[C@H]2[C@H]1C[C@H]1OC(=O)[C@@]3(C)[C@H](OC(C)=O)CC[C@@]2(C)[C@@]13O
InChIInChI=1S/C22H30O5/c1-6-14-12(2)7-8-16-15(14)11-18-22(25)20(16,4)10-9-17(26-13(3)23)21(22,5)19(24)27-18/h6,14-18,25H,1-2,7-11H2,3-5H3/t14-,15+,16+,17-,18-,20-,21-,22+/m1/s1
InChIKeyAHMSSFUETQXFKM-LAURMEFLSA-N
Species of MetaboliteComponentSourceComments
Paracamarosporium hawaiiense (ncbitaxon:502129) - PubMed (24882446)
ChEBI Ontology
Outgoing Relation(s)
Hawaiinolide D (CHEBI:200886) is a steroid lactone (CHEBI:26766)
IUPAC Name 
[(1R,2S,6S,7R,9R,12S,13R,16S)-6-ethenyl-16-hydroxy-1,12-dimethyl-5-methylidene-11-oxo-10-oxatetracyclo[7.6.1.02,7.012,16]hexadecan-13-yl] acetate
Manual XrefsDatabases
34247851ChemSpider