EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:215576 - Hawaiinolide C

ChEBI IDCHEBI:215576
ChEBI NameHawaiinolide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O4
Net Charge0
Average Mass332.440
Monoisotopic Mass332.19876
SMILESC=C[C@@H]1C(=C)CC[C@H]2[C@H]1C[C@H]1OC(=O)[C@@]3(C)[C@H](O)CC[C@@]2(C)[C@@]13O
InChIInChI=1S/C20H28O4/c1-5-12-11(2)6-7-14-13(12)10-16-20(23)18(14,3)9-8-15(21)19(20,4)17(22)24-16/h5,12-16,21,23H,1-2,6-10H2,3-4H3/t12-,13+,14+,15-,16-,18-,19-,20+/m1/s1
InChIKeyIRMOTGCMHMASFO-SVGNPDPRSA-N
Species of MetaboliteComponentSourceComments
Paracamarosporium hawaiiense (ncbitaxon:502129) - PubMed (24882446)
ChEBI Ontology
Outgoing Relation(s)
Hawaiinolide C (CHEBI:215576) is a steroid lactone (CHEBI:26766)
IUPAC Name 
(1R,2S,6S,7R,9R,12S,13R,16S)-6-ethenyl-13,16-dihydroxy-1,12-dimethyl-5-methylidene-10-oxatetracyclo[7.6.1.02,7.012,16]hexadecan-11-one
Manual XrefsDatabases
34247850ChemSpider