EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:203695 - Hawaiinolide B

ChEBI IDCHEBI:203695
ChEBI NameHawaiinolide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O4
Net Charge0
Average Mass330.424
Monoisotopic Mass330.18311
SMILESC=CC1=CC[C@H]2[C@@H](CC(=O)[C@@]3(O)[C@@]4(C)C(=O)O[C@H]4CC[C@]23C)[C@H]1C
InChIInChI=1S/C20H26O4/c1-5-12-6-7-14-13(11(12)2)10-15(21)20(23)18(14,3)9-8-16-19(20,4)17(22)24-16/h5-6,11,13-14,16,23H,1,7-10H2,2-4H3/t11-,13-,14-,16-,18+,19+,20-/m0/s1
InChIKeyAFEUGPSCVTYZGI-WQNWOALFSA-N
Species of MetaboliteComponentSourceComments
Paracamarosporium hawaiiense (ncbitaxon:502129) - PubMed (24882446)
ChEBI Ontology
Outgoing Relation(s)
Hawaiinolide B (CHEBI:203695) is a β-lactone (CHEBI:49043)
IUPAC Name 
(1R,2S,6R,7S,10S,11S,14S)-5-ethenyl-10-hydroxy-1,6,11-trimethyl-13-oxatetracyclo[8.6.0.02,7.011,14]hexadec-4-ene-9,12-dione
Manual XrefsDatabases
34247852ChemSpider