EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:67419 - cryptocaryol D

Default Structure
ChEBI IDCHEBI:67419
ChEBI Namecryptocaryol D
Stars
DefinitionA member of the class of 2-pyranones that is 5,6-dihydro-2H-pyran-2-one substituted by a hydroxy group at position 5 and a 10-(acetyloxy)-2,4,6,8-tetrahydroxypentacosyl group at position 6.It has been isolated from Cryptocarya species
Last Modified4 December 2013
DownloadsMolfile
FormulaC32H58O9
Net Charge0
Average Mass586.807
Monoisotopic Mass586.40808
SMILESCCCCCCCCCCCCCCC[C@H](C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@@H]1OC(=O)C=C[C@@H]1O)OC(C)=O
InChIInChI=1S/C32H58O9/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-29(40-24(2)33)22-27(36)20-25(34)19-26(35)21-28(37)23-31-30(38)17-18-32(39)41-31/h17-18,25-31,34-38H,3-16,19-23H2,1-2H3/t25-,26+,27-,28+,29-,30+,31+/m1/s1
InChIKeyQTODHKJVJUSIHI-YEWNYCFTSA-N
Species of MetaboliteComponentSourceComments
Cryptocarya (ncbitaxon:22027) - PubMed (21539301) CH2Cl2-MeOH(1:1) and 100% MeOH extract of dried and ground plant material
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
cryptocaryol D (CHEBI:67419) has role metabolite (CHEBI:25212)
cryptocaryol D (CHEBI:67419) has role plant metabolite (CHEBI:76924)
cryptocaryol D (CHEBI:67419) is a 2-pyranones (CHEBI:75885)
cryptocaryol D (CHEBI:67419) is a acetate ester (CHEBI:47622)
cryptocaryol D (CHEBI:67419) is a pentol (CHEBI:37205)
IUPAC Name 
(2S*,4S*,6R*,8R*,10R*)-2,4,6,8-tetrahydroxy-1-[(2S,3S)-3-hydroxy-6-oxo-3,6-dihydro-2H-pyran-2-yl]pentacosan-10-yl acetate
Registry NumbersSources
Reaxys:21548650Reaxys
Citations