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CHEBI:67418 - cryptocaryol C

Default Structure
ChEBI IDCHEBI:67418
ChEBI Namecryptocaryol C
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 2,4,6,8,10-pentahydroxypentacosyl group at position 6. It has been isolated from Cryptocarya species.
Last Modified4 December 2013
DownloadsMolfile
FormulaC30H56O8
Net Charge0
Average Mass544.770
Monoisotopic Mass544.39752
SMILESCCCCCCCCCCCCCCC[C@@H](O)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
InChIInChI=1S/C30H56O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(31)18-24(32)19-25(33)20-26(34)21-27(35)22-29-28(36)16-17-30(37)38-29/h16-17,23-29,31-36H,2-15,18-22H2,1H3/t23-,24+,25+,26+,27+,28+,29+/m1/s1
InChIKeyLCODPNNXGVNGAW-KVARLTFLSA-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 C (CHEBI:67418) has role metabolite (CHEBI:25212)
cryptocaryol C (CHEBI:67418) has role plant metabolite (CHEBI:76924)
cryptocaryol C (CHEBI:67418) is a 2-pyranones (CHEBI:75885)
cryptocaryol C (CHEBI:67418) is a hexol (CHEBI:37206)
IUPAC Name 
(5S,6S)-5-hydroxy-6-[(2S*,4S*,6S*,8S*,10R*)-2,4,6,8,10-pentahydroxypentacosyl]-5,6-dihydro-2H-pyran-2-one
Registry NumbersSources
Reaxys:21548648Reaxys
Citations