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CHEBI:67420 - cryptocaryol E

Default Structure
ChEBI IDCHEBI:67420
ChEBI Namecryptocaryol E
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 2,4,6,8-tetrahydroxytricosyl group at position 6. It has been isolated from Cryptocarya species.
Last Modified4 December 2013
DownloadsMolfile
FormulaC28H52O7
Net Charge0
Average Mass500.717
Monoisotopic Mass500.37130
SMILESCCCCCCCCCCCCCCC[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
InChIInChI=1S/C28H52O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(29)18-23(30)19-24(31)20-25(32)21-27-26(33)16-17-28(34)35-27/h16-17,22-27,29-33H,2-15,18-21H2,1H3/t22-,23+,24+,25+,26+,27+/m1/s1
InChIKeyCVJWXRNBYKUGQI-AIFRIFMOSA-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:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
cryptocaryol E (CHEBI:67420) has role metabolite (CHEBI:25212)
cryptocaryol E (CHEBI:67420) has role plant metabolite (CHEBI:76924)
cryptocaryol E (CHEBI:67420) is a 2-pyranones (CHEBI:75885)
cryptocaryol E (CHEBI:67420) is a pentol (CHEBI:37205)
IUPAC Name 
(5S,6S)-5-hydroxy-6-[(2S*,4S*,6S*,8R*)-2,4,6,8-tetrahydroxytricosyl]-5,6-dihydro-2H-pyran-2-one
Registry NumbersSources
Reaxys:21548646Reaxys
Citations