EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:211821 - 6,13-dihydroxypunctaporonin E

ChEBI IDCHEBI:211821
ChEBI Name6,13-dihydroxypunctaporonin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O5
Net Charge0
Average Mass284.352
Monoisotopic Mass284.16237
SMILESC[C@]1(CO)C[C@H]2[C@@]1(O)[C@@H](O)C[C@]1(C)C=C[C@@H](O)[C@]21CO
InChIInChI=1S/C15H24O5/c1-12-4-3-10(18)14(12,8-17)9-5-13(2,7-16)15(9,20)11(19)6-12/h3-4,9-11,16-20H,5-8H2,1-2H3/t9-,10-,11+,12+,13-,14+,15-/m1/s1
InChIKeyFFTWNBUZGPVTOT-BXPKWHOZSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsisspecies (ncbitaxon:36460) - DOI (10.1016/j.phytol.2016.05.001)
ChEBI Ontology
Outgoing Relation(s)
6,13-dihydroxypunctaporonin E (CHEBI:211821) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(2R,2aS,3S,4aR,7R,7aR,7bR)-2,7a-bis(hydroxymethyl)-2,4a-dimethyl-3,4,7,7b-tetrahydro-1H-cyclobuta[g]indene-2a,3,7-triol
Manual XrefsDatabases
78442251ChemSpider