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CHEBI:67418 - cryptocaryol C

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:
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 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