EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:216212 - Hawaiinolide F

ChEBI IDCHEBI:216212
ChEBI NameHawaiinolide F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O4
Net Charge0
Average Mass332.440
Monoisotopic Mass332.19876
SMILESC=CC1=CC[C@H]2[C@@H](C[C@H]3OC(=O)[C@@]4(C)[C@H](O)CC[C@@]2(C)[C@@]34O)[C@H]1C
InChIInChI=1S/C20H28O4/c1-5-12-6-7-14-13(11(12)2)10-16-20(23)18(14,3)9-8-15(21)19(20,4)17(22)24-16/h5-6,11,13-16,21,23H,1,7-10H2,2-4H3/t11-,13-,14-,15+,16+,18+,19+,20-/m0/s1
InChIKeyHQKRCEBCNPNBKW-IMBLDBPBSA-N
Species of MetaboliteComponentSourceComments
Paracamarosporium hawaiiense (ncbitaxon:502129) - PubMed (25301775)
ChEBI Ontology
Outgoing Relation(s)
Hawaiinolide F (CHEBI:216212) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(1R,2S,6R,7S,9R,12S,13R,16S)-5-ethenyl-13,16-dihydroxy-1,6,12-trimethyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadec-4-en-11-one
Manual XrefsDatabases
78443401ChemSpider