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CHEBI:67416 - cryptocaryol A

ChEBI IDCHEBI:67416
ChEBI Namecryptocaryol A
Stars
DefinitionA member of the class of 2-pyranones that is 5,6-dihydro-2H-pyran-2-one substituted by a 2,4,6,8,10-pentahydroxypentacosyl group at position 6. It has been isolated from Cryptocarya species.
Last Modified9 January 2014
DownloadsMolfile
FormulaC30H56O7
Net Charge0
Average Mass528.771
Monoisotopic Mass528.40260
SMILESCCCCCCCCCCCCCCC[C@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@H]1CC=CC(=O)O1
InChIInChI=1S/C30H56O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-24(31)19-25(32)20-26(33)21-27(34)22-28(35)23-29-17-15-18-30(36)37-29/h15,18,24-29,31-35H,2-14,16-17,19-23H2,1H3/t24-,25+,26+,27+,28+,29+/m0/s1
InChIKeyGHNAMLOEGLSFMB-ZHMMVFJOSA-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 Role:
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 A (CHEBI:67416) has role plant metabolite (CHEBI:76924)
cryptocaryol A (CHEBI:67416) is a 2-pyranones (CHEBI:75885)
cryptocaryol A (CHEBI:67416) is a pentol (CHEBI:37205)
IUPAC Name 
(6R)-6-[(2R,4R,6R,8R,10S)-2,4,6,8,10-pentahydroxypentacosyl]-5,6-dihydro-2H-pyran-2-one
Registry NumbersSources
Reaxys:23730158Reaxys
Citations