EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:217533 - Punctaporonin I

ChEBI IDCHEBI:217533
ChEBI NamePunctaporonin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H26O5
Net Charge0
Average Mass310.390
Monoisotopic Mass310.17802
SMILESCC(=O)O[C@H]1C/C(C)=C/[C@@H](O)/C=C(/CO)[C@H]2CC(C)(C)[C@]12O
InChIInChI=1S/C17H26O5/c1-10-5-13(20)7-12(9-18)14-8-16(3,4)17(14,21)15(6-10)22-11(2)19/h5,7,13-15,18,20-21H,6,8-9H2,1-4H3/b10-5+,12-7-/t13-,14-,15+,17-/m1/s1
InChIKeyJXNSIQJORMRVGC-KEPWLTFJSA-N
Species of MetaboliteComponentSourceComments
Ascotricha sinuosa (ncbitaxon:1217297) - PubMed (24983636)
ChEBI Ontology
Outgoing Relation(s)
Punctaporonin I (CHEBI:217533) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
[(1S,2S,4E,6R,7E,9R)-1,6-dihydroxy-8-(hydroxymethyl)-4,11,11-trimethyl-2-bicyclo[7.2.0]undeca-4,7-dienyl] acetate
Manual XrefsDatabases
32674945ChemSpider